Basic information
- CAS
32940-44-6- Standard SMILES
CN1CCC2c3cc(O)ccc3CCC21- InChIKey
CBRKAWXUZOALSM-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- 3H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-3-methyl-
- IUPAC
- 3-methyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-8-ol
- English name
- 2,3,3a,4,5,9b-Hexahydro-3-methyl-1H-benz[e]indol-8-ol
- Molecular weight
- 0
Names & synonyms
BRN 15326741,2,3a,4,5,9b-Hexahydro-8-hydroxy-3-methyl-3H-benz(e)indole32940-44-63H-Benz(e)indol-8-ol, 1,2,3a,4,5,9b-hexahydro-3-methyl-5-21-03-00102 (Beilstein Handbook Reference)RefChem:2830853-methyl-2,3,3a,4,5,9b-hexahydro-1h-benzo[e]indol-8-ol2,3,3a,4,5,9b-Hexahydro-3-methyl-1H-benz[e]indol-8-olDTXSID10954585
Database identifiers
- CAS
32940-44-6- PubChem CID
- 208757
- DTXSID
DTXSID10954585- Nikkaji
- J41.293G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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