Basic information
- CAS
88763-26-2- Standard SMILES
Cc1ccc([C@H]2c3cc(O)ccc3[C@H]3NCCC[C@@H]23)cc1- InChIKey
HCKLXAQTPVFXJC-QXAKKESOSA-N- Molecular formula
- C19H21NO
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.16231429
Names & identifiers
- Preferred name
- 1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(4-methylphenyl)-, (4a-alpha,5-beta,9b-alpha)-
- IUPAC
- (4aS,5S,9bS)-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol
Names & synonyms
1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(4-methylphenyl)-, (4a-alpha,5-beta,9b-alpha)-88763-26-2RefChem:1058139BRN 4701839CHEMBL343387
Database identifiers
- CAS
88763-26-2- PubChem CID
- 55858
- ChEMBL
CHEMBL343387
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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