(1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one

C21H20O3 — CID 56839059

IUPAC(1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one
SMILESO=C(c1ccccc1)C1C(c2ccccc2)[C@@H]2CCC[C@@]1(O)C2=O
InChIInChI=1S/C21H20O3/c22-19(15-10-5-2-6-11-15)18-17(14-8-3-1-4-9-14)16-12-7-13-21(18,24)20(16)23/h1-6,8-11,16-18,24H,7,12-13H2/t16-,17?,18?,21-/m0/s1
InChIKeyAEPUIYUAKGIJCM-RJPLPAITSA-N
MW320.39 g/mol
LogP3.38
Rot. Bonds3

About (1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one

(1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one (PubChem CID 56839059) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name(1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one
PubChem CID56839059
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name(1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one
SMILESO=C(c1ccccc1)C1C(c2ccccc2)[C@@H]2CCC[C@@]1(O)C2=O
InChIInChI=1S/C21H20O3/c22-19(15-10-5-2-6-11-15)18-17(14-8-3-1-4-9-14)16-12-7-13-21(18,24)20(16)23/h1-6,8-11,16-18,24H,7,12-13H2/t16-,17?,18?,21-/m0/s1
InChIKeyAEPUIYUAKGIJCM-RJPLPAITSA-N
XLogP3.38
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone
CID 11827032
[(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
CID 11476370
3-benzoyl-2-phenylbicyclo[3.3.1]nonan-9-one
CID 13397546
[(1S,2R,6R)-2-hydroxy-2-methyl-6-propylcyclohexyl]-phenylmethanone
CID 102483120
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one
CID 23935811
2-benzoyl-4-methyl-3-phenylcyclobutan-1-one
CID 20723879
(6R,7S)-6-benzoyl-7-phenylspiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 122396813
(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone
CID 11128981
(2S,3S,4R,5R)-2,4-dibenzoyl-5-hydroxy-5-methyl-3-(4-methylphenyl)cyclohexan-1-one
CID 98124957
(2S,3S,4S,5R)-2,4-dibenzoyl-5-hydroxy-5-methyl-3-(4-methylphenyl)cyclohexan-1-one
CID 124756410
(2R,3S,4R,5R)-2,4-dibenzoyl-5-hydroxy-5-methyl-3-(4-methylphenyl)cyclohexan-1-one
CID 98124958

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one?
The IUPAC name of (1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one (CID 56839059) is (1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one.
What is the SMILES notation for (1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one?
The canonical SMILES for (1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one is O=C(c1ccccc1)C1C(c2ccccc2)[C@@H]2CCC[C@@]1(O)C2=O.
What is the InChIKey of (1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one?
The InChIKey is AEPUIYUAKGIJCM-RJPLPAITSA-N. The full InChI is InChI=1S/C21H20O3/c22-19(15-10-5-2-6-11-15)18-17(14-8-3-1-4-9-14)16-12-7-13-21(18,24)20(16)23/h1-6,8-11,16-18,24H,7,12-13H2/t16-,17?,18?,21-/m0/s1.
What are the key properties of (1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one?
(1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one has a molecular weight of 320.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 56839059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).