(6aR,10aR)-6,6,9-trimethyl-3-p-tolyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
Basic information
- CAS
939964-57-5- Standard SMILES
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(-c3ccc(C)cc3)cc1OC2(C)C- InChIKey
BNNTYBVRZLELKE-RTBURBONSA-N- Molecular formula
- C23H26O2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.19328007
Names & identifiers
- Preferred name
- (6aR,10aR)-6,6,9-trimethyl-3-p-tolyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
- IUPAC
- (6aR,10aR)-6,6,9-trimethyl-3-(4-methylphenyl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Names & synonyms
CHEMBL382684SCHEMBL31545299DTXSID801118274BDBM50179982(6aR,10aR)-6,6,9-trimethyl-3-p-tolyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol939964-57-5(6aR,10aR)-6,6,9-Trimethyl-3-(4-methylphenyl)-6a,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol(6aR,10aR)-6a,7,10,10a-Tetrahydro-6,6,9-trimethyl-3-(4-methylphenyl)-6H-dibenzo[b,d]pyran-1-ol
Database identifiers
- CAS
939964-57-5- PubChem CID
- 44409348
- DTXSID
DTXSID801118274- ChEMBL
CHEMBL382684
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 514
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Compound notes
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