1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol
Basic information
- CAS
40495-38-3- Standard SMILES
Cc1c2c(c(CO)c3ccccc13)C1OC1c1ccccc1-2- InChIKey
FQBADCHKPUAHET-UHFFFAOYSA-N- Molecular formula
- C20H16O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.11502975
Names & identifiers
- Preferred name
- 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol
- IUPAC
- (12-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaen-19-yl)methanol
Names & synonyms
40495-38-31a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol7-(Hydroxymethyl)-12-methylbenz(a)anthracene 5,6-oxideDTXSID70960884Benz(3,4)anthra(1,2-b)oxirene-11-methanol, 1a,11b-dihydro-6-methyl-(6-Methyl-1a,11b-dihydrotetrapheno[5,6-b]oxiren-11-yl)methanol
Database identifiers
- CAS
40495-38-3- PubChem CID
- 148378
- DTXSID
DTXSID70960884
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 435
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Related reactions
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Compound notes
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