Basic information
- CAS
63019-38-5- Standard SMILES
Oc1cccc2c1ccc1c3ccccc3ccc21- InChIKey
ISHBWEUQYFEVES-UHFFFAOYSA-N- Molecular formula
- C18H12O
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.088815
Overview
Chrysen-1-ol is a hydroxychrysene that is chrysene in which the hydrogen at position 1 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene. It has a role as a xenobiotic metabolite.
Names & identifiers
- Preferred name
- 1-Chrysenol
- IUPAC
- chrysen-1-ol
- English name
- 1-HYDROXYCHRYSENE
- Molecular formula
- C18H12O
- Molecular weight
- 244.29
Names & synonyms
1-Hydroxychrysenechrysen-1-ol1-CHRYSENOLCCRIS 2026BRN 31356006JB26O47IPUNII-6JB26O47IPCHEBI:132391DTXSID402122663-06-00-03728 (Beilstein Handbook Reference)RefChem:75467DTXCID40134757
Show more names
63019-38-5SCHEMBL3165939SCHEMBL3165943SCHEMBL30721806ISHBWEUQYFEVES-UHFFFAOYSA-NNS00077030Q27225555
Database identifiers
- CAS
63019-38-5- PubChem CID
- 44284
- DTXSID
DTXSID40212266- ChEBI
CHEBI:132391- UNII
- 6JB26O47IP
- Nikkaji
- J356.066J
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 160 °C · >160°C (dec.)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- Brown
- FDA UNII
- 6 JB26O47IP · 6JB26O47IP
Chemistry & industry
Applications
Uses1-Hydroxychrysene is hydroxylated metabolite of Chrysene (C428000). Used in biological study to alter the synthesis of androgens and estrogens in carp gonads.
Upstream & downstream products
Downstream products
Suppliers4 total
郑州海阔光电材料有限公司0371-67759225 13526468238 · [email protected]
郑州海阔光电材料有限公司+86-371-55919009 +8615225108189 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Additional notes
DefinitionChEBI: A hydroxychrysene that is chrysene in which the hydrogen at position 1 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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