1,2,3,11,12,12a-Hexahydrobenzo(b)pyren-11-ol
Basic information
- CAS
94850-12-1- Standard SMILES
OC1CC2CCCc3ccc4cc5ccccc5c1c4c32- InChIKey
LMPKUMILDJEADQ-UHFFFAOYSA-N- Molecular formula
- C20H18O
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.13576519
Names & identifiers
- Preferred name
- 1,2,3,11,12,12a-Hexahydrobenzo(b)pyren-11-ol
- IUPAC
- 1,2,3,11,12,12a-hexahydrobenzo[a]pyren-11-ol
Names & synonyms
94850-12-11,2,3,11,12,12a-Hexahydrobenzo[pqr]tetraphen-11-olDTXSID00915246Benzo(b)pyren-11-ol, 1,2,3,11,12,12a-hexahydrobenzo(b)pyren-11-ol1,2,3,11,12,12a-Hexahydrobenzo(b)pyren-11-ol
Database identifiers
- CAS
94850-12-1- PubChem CID
- 186571
- DTXSID
DTXSID00915246
Properties
Computed structural properties
- XLogP
- 4.6
- 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
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Related reactions
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Compound notes
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