(1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one

C21H22O2 — CID 10566591

IUPAC(1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one
SMILESO=C1C[C@@H](c2ccccc2)[C@H]2C[C@@H]1[C@H](c1ccccc1)C[C@H]2O
InChIInChI=1S/C21H22O2/c22-20-12-16(14-7-3-1-4-8-14)18-11-19(20)17(13-21(18)23)15-9-5-2-6-10-15/h1-10,16-20,22H,11-13H2/t16-,17-,18+,19+,20+/m0/s1
InChIKeySWWSUHKTFHMZBC-CENDIDJXSA-N
MW306.41 g/mol
LogP3.91
Rot. Bonds2

About (1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one

(1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one (PubChem CID 10566591) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one.

Molecular Properties

Compound Name(1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one
PubChem CID10566591
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name(1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one
SMILESO=C1C[C@@H](c2ccccc2)[C@H]2C[C@@H]1[C@H](c1ccccc1)C[C@H]2O
InChIInChI=1S/C21H22O2/c22-20-12-16(14-7-3-1-4-8-14)18-11-19(20)17(13-21(18)23)15-9-5-2-6-10-15/h1-10,16-20,22H,11-13H2/t16-,17-,18+,19+,20+/m0/s1
InChIKeySWWSUHKTFHMZBC-CENDIDJXSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one with MolForge

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Related Compounds

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CID 10561809
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CID 102445902
CID 102445902
1-chloro-4-(2-phenylcyclopropyl)benzene
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cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
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4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
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1,4,5-triphenylpyrrolidin-2-one
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(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
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CID 124792855

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one?
The IUPAC name of (1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one (CID 10566591) is (1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one.
What is the SMILES notation for (1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one?
The canonical SMILES for (1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one is O=C1C[C@@H](c2ccccc2)[C@H]2C[C@@H]1[C@H](c1ccccc1)C[C@H]2O.
What is the InChIKey of (1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one?
The InChIKey is SWWSUHKTFHMZBC-CENDIDJXSA-N. The full InChI is InChI=1S/C21H22O2/c22-20-12-16(14-7-3-1-4-8-14)18-11-19(20)17(13-21(18)23)15-9-5-2-6-10-15/h1-10,16-20,22H,11-13H2/t16-,17-,18+,19+,20+/m0/s1.
What are the key properties of (1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one?
(1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one has a molecular weight of 306.41 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,6R,8R)-6-hydroxy-4,8-diphenylbicyclo[3.3.1]nonan-2-one is sourced from PubChem (CID 10566591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).