1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone

C20H22O2 — CID 14929091

IUPAC1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone
SMILESCC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)C[C@@]1(C)O
InChIInChI=1S/C20H22O2/c1-14(21)19-18(16-11-7-4-8-12-16)17(13-20(19,2)22)15-9-5-3-6-10-15/h3-12,17-19,22H,13H2,1-2H3/t17-,18-,19+,20-/m1/s1
InChIKeyZGXJBXIHEYSWNO-YSTOQKLRSA-N
MW294.39 g/mol
LogP3.91
Rot. Bonds3

About 1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone

1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone (PubChem CID 14929091) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone
PubChem CID14929091
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone
SMILESCC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)C[C@@]1(C)O
InChIInChI=1S/C20H22O2/c1-14(21)19-18(16-11-7-4-8-12-16)17(13-20(19,2)22)15-9-5-3-6-10-15/h3-12,17-19,22H,13H2,1-2H3/t17-,18-,19+,20-/m1/s1
InChIKeyZGXJBXIHEYSWNO-YSTOQKLRSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone with MolForge

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Related Compounds

Fencibutirol
CID 71170
Mls002638215
CID 223673
Ethanone, 1-(1-hydroxy-4-phenylcyclohexyl)-
CID 193111
2,5-Diethyl-3,4-diphenyl-4-hydroxy-2-cyclopenten-1-one
CID 220292
3-Hydroxy-4,6-dimethyl-7-phenylbicyclo[3.2.1]oct-3-ene-2,8-dione
CID 373542
4-Hydroxy-5-methyl-3,4-diphenylcyclopent-2-en-1-one
CID 353465
1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-2-methylpropan-1-one
CID 10845866
3,3-Diphenylcyclopentane-1-carboxylic acid
CID 21330958
4-Hydroxy-2-(1-methyl-ethyl)-3,4-diphenylcyclopent-2-en-1-one
CID 129746161
5,5-Difluoro-4-hydroxy-3,4-dimethyl-3-[2-(4-phenylphenyl)ethyl]pentan-2-one
CID 121480202
4-(2-Fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one
CID 131995255
4-Hydroxy-3,4-diphenyl-2,5-dipropylcyclopent-2-en-1-one
CID 234430

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone?
The IUPAC name of 1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone (CID 14929091) is 1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone is CC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)C[C@@]1(C)O.
What is the InChIKey of 1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone?
The InChIKey is ZGXJBXIHEYSWNO-YSTOQKLRSA-N. The full InChI is InChI=1S/C20H22O2/c1-14(21)19-18(16-11-7-4-8-12-16)17(13-20(19,2)22)15-9-5-3-6-10-15/h3-12,17-19,22H,13H2,1-2H3/t17-,18-,19+,20-/m1/s1.
What are the key properties of 1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone?
1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone has a molecular weight of 294.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone is sourced from PubChem (CID 14929091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).