Basic information
- CAS
88763-30-8- Standard SMILES
CC(C)c1ccc([C@@H]2c3cc(O)ccc3[C@H]3NCCC[C@@H]23)cc1- InChIKey
QLTCRHHUEOZIAU-SESVDKBCSA-N- Molecular formula
- C21H25NO
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.19361442
Names & identifiers
- Preferred name
- 1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(4-(1-methylethyl)phenyl)-, (4a-alpha,5-alpha,9b-alpha)-
- IUPAC
- (4aS,5R,9bS)-5-(4-propan-2-ylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol
Names & synonyms
BRN 57607571H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(4-(1-methylethyl)phenyl)-, (4a-alpha,5-alpha,9b-alpha)-88763-30-8RefChem:238596CHEMBL136639DTXSID6010083665-[4-(Propan-2-yl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol(4aS,5R,9bS)-5-[4-(Propan-2-yl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol
Database identifiers
- CAS
88763-30-8- PubChem CID
- 55860
- DTXSID
DTXSID601008366- ChEMBL
CHEMBL136639
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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