Basic information
- CAS
37574-48-4- Standard SMILES
Oc1cc2cc3ccccc3c3ccc4cccc1c4c23- InChIKey
URKORCVBWWKYKY-UHFFFAOYSA-N- Molecular formula
- C20H12O
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.088815
Overview
4-Hydroxybenzo[a]pyrene is an ortho- and peri-fused polycyclic arene.
Names & identifiers
- Preferred name
- 4-Hydroxybenzo[a]pyrene
- IUPAC
- benzo[a]pyren-4-ol
- English name
- 4-Hydroxybenzo[a]pyrene
- Molecular formula
- C20H12O
- Molecular weight
- 0
Names & synonyms
4-Hydroxybenzo(a)pyrene4-Hydroxybenzo[a]pyrenebenzo[a]pyren-4-ol37574-48-4Benzo(a)pyren-4-olBenz(a)pyrene, 4-hydroxy-BENZO(a)PYRENE, 4-HYDROXY-UNII-37IFC8W3E4BRN 246408737IFC8W3E4BENZO(PQR)TETRAPHEN-4-OLDTXSID00191008
Show more names
HYDROXYBENZO(A)PYRENE, 4-benzo[pqr]tetraphen-4-olRefChem:99274DTXCID70113499CHEMBL1908016CHEBI:34420DB-263126Q27116054
Database identifiers
- CAS
37574-48-4- PubChem CID
- 37787
- DTXSID
DTXSID00191008- ChEMBL
CHEMBL1908016- ChEBI
CHEBI:34420- UNII
- 37IFC8W3E4
- Nikkaji
- J1.039A
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- FDA UNII
- 37 IFC8W3E4 · 37IFC8W3E4
Chemistry & industry
Applications
Uses4-Hydroxybenzo[a]pyrene is a monohydroxy benzo[a]pyrene derivative that exhibits estrogenic activity and binds estrogen receptors (ERs).
Suppliers1 total
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
Additional notes
DefinitionChEBI: 4-Hydroxybenzo[a]pyrene is an ortho- and peri-fused polycyclic arene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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