11-Hydroxy-3-methylcholanthrene
Basic information
- CAS
3343-11-1- Standard SMILES
Cc1ccc2cc3c(cc(O)c4ccccc43)c3c2c1CC3- InChIKey
ICRLACCWFBWIDJ-UHFFFAOYSA-N- Molecular formula
- C21H16O
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.12011513
Names & identifiers
- Preferred name
- 11-Hydroxy-3-methylcholanthrene
- IUPAC
- 3-methyl-1,2-dihydrobenzo[j]aceanthrylen-11-ol
Names & synonyms
11-Hydroxy-3-methylcholanthrene11-Cholanthrenol, 3-methyl-3343-11-1BENZ(j)ACEANTHRYLEN-11-OL, 1,2-DIHYDRO-3-METHYL-Benz[j]aceanthrylen-11-ol, 1,2-dihydro-3-methyl-3-Methyl-11-cholanthrenolBRN 5968915V8C4NC22XJDTXSID50187077Hydroxy-3-methylcholanthrene, 11-3-methyl-1H,2H-benzo[j]aceanthrylen-11-ol1,2-Dihydro-3-methylbenz[j]aceanthrylen-11-ol
Show more names
3-Methyl-1,2-dihydrocyclopenta[ij]tetraphen-11-ol
Database identifiers
- CAS
3343-11-1- PubChem CID
- 18762
- DTXSID
DTXSID50187077- UNII
- V8C4NC22XJ
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
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Compound notes
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