Basic information
- CAS
7499-28-7- Standard SMILES
Cc1cccc2c1C1c3c(C)cccc3C(O)CC1CC2O- InChIKey
VLVZYXMOGGZGPI-UHFFFAOYSA-N- Molecular formula
- C20H22O2
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.16197994
Names & identifiers
- Preferred name
- 1,12-Dimethyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene-5,8-diol
- IUPAC
- 1,12-dimethyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene-5,8-diol
Names & synonyms
7499-28-7NSC4076391,12-dimethyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene-5,8-diolDTXSID90324747NSC-407639
Database identifiers
- CAS
7499-28-7- PubChem CID
- 348368
- DTXSID
DTXSID90324747
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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