Consensus flow list

Identity

Type
Neutral molecule
CAS
599-64-4
EC
209-968-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-(1-methyl-1-phenylethyl)phenol

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QBDSZLJBMIMQRS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
IUPAC name chemrof:IUPAC_name 4-(1-methyl-1-phenylethyl)phenol
Molecular formula chemrof:molecular_formula C15H16O
Molecular mass chemrof:molecular_mass 212.292
Monoisotopic mass chemrof:monoisotopic_mass 212.120115, 212.12012
SMILES string chemrof:smiles_string CC(C)(c1ccccc1)c1ccc(O)cc1

Known URLs

16

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=599-64-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35092 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.063 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3022536 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB06902 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6237 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL194805 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2RLA3OL3QT enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.797K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14258 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14258 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67621 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:1OH enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL194805 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11742 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27095806 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e79564f8-87fe-4fdb-a5d9-d1751aad8b5a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c34c3166-36c2-468f-a71b-287ee88f4e75 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0d2f2c97-3ff3-4c29-b184-e3a86a3f2afc Environmental → Air → Indoor EF 3.1 kg 4
b94b2034-0b16-497a-9a04-c0b635d0949d Environmental → Air → Long-term EF 3.1 kg 0
3bf05b2e-56f2-4678-889d-5ea29d61d9f2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b179e256-a1b9-48ae-84f5-cff34d66f46f Environmental → Air → Unknown EF 3.1 kg 4
a7965839-4080-4a2b-b9a1-8bacaa79d0cf Environmental → Ground → Agricultural EF 3.1 kg 4
4e51f0c0-073b-48bc-8f28-e62843424957 Environmental → Ground → Non-agricultural EF 3.1 kg 4
27b8ec37-a174-48f3-ad79-0f1a08a1dcfb Environmental → Ground → Unknown EF 3.1 kg 4
e3705e93-1f07-43e8-94f8-1063a222ab9e Environmental → Water → Long-term EF 3.1 kg 0
03e4610b-60d1-4c85-afe3-25c568bff842 Environmental → Water → Ocean EF 3.1 kg 4
3a7ac98a-82aa-40b2-b43d-d37119101c5f Environmental → Water → Surface water EF 3.1 kg 4
e79c2d51-e91d-47da-ba01-168d9a77373e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-2ef53ae051e93ea7",
  "prefLabel": [
    {
      "@value": "4-(1-methyl-1-phenylethyl)phenol",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "2-(4-Hydroxyphenyl)-2-phenylpropane",
      "@language": "en",
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    },
    {
      "@value": "2-Phenyl-2-(4-hydroxyphenyl)propane",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "4-(2-Phenylpropan-2-yl)phenol",
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    },
    {
      "@value": "4-(Dimethylphenylmethyl)phenol",
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    },
    {
      "@value": "4-(α,α-Dimethylbenzyl)phenol",
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      "@value": "4-Hydroxydiphenyldimethylmethane",
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