trans-8-Methyl-1,2,3,4,10,11-hexahydrobenz(a)anthracene-10,11-diol
Basic information
- CAS
94849-88-4- Standard SMILES
CC1=C[C@H](O)[C@@H](O)c2cc3c4c(ccc3cc21)CCCC4- InChIKey
BEJISQOZPRTUCN-OALUTQOASA-N- Molecular formula
- C19H20O2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.14632988
Names & identifiers
- Preferred name
- trans-8-Methyl-1,2,3,4,10,11-hexahydrobenz(a)anthracene-10,11-diol
- IUPAC
- (10S,11S)-8-methyl-1,2,3,4,10,11-hexahydrobenzo[a]anthracene-10,11-diol
Names & synonyms
94849-88-4trans-8-Methyl-1,2,3,4,10,11-hexahydrobenz(a)anthracene-10,11-diolDTXSID60915262Benz(a)anthracene-10,11-diol, 1,2,3,4,10,11-hexahydro-8-methyl-, trans-8-Methyl-1,2,3,4,10,11-hexahydrotetraphene-10,11-diol(10S,11S)-8-methyl-1,2,3,4,10,11-hexahydrotetraphene-10,11-diol
Database identifiers
- CAS
94849-88-4- PubChem CID
- 190199
- DTXSID
DTXSID60915262
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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