[(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone

C32H30O2 — CID 11476370

IUPAC[(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
SMILESCc1ccc([C@@H]2[C@@H](c3ccc(C)cc3)C[C@](O)(c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C32H30O2/c1-22-13-17-24(18-14-22)28-21-32(34,27-11-7-4-8-12-27)30(31(33)26-9-5-3-6-10-26)29(28)25-19-15-23(2)16-20-25/h3-20,28-30,34H,21H2,1-2H3/t28-,29-,30-,32+/m1/s1
InChIKeyXSIWOYLHDVFYRO-NLLMHJBRSA-N
MW446.59 g/mol
LogP6.96
Rot. Bonds5

About [(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone

[(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone (PubChem CID 11476370) has the molecular formula C32H30O2 and a molecular weight of 446.59 g/mol. Its IUPAC name is [(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone.

Molecular Properties

Compound Name[(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
PubChem CID11476370
Molecular FormulaC32H30O2
Molecular Weight446.59 g/mol
Exact Mass446.22
IUPAC Name[(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
SMILESCc1ccc([C@@H]2[C@@H](c3ccc(C)cc3)C[C@](O)(c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C32H30O2/c1-22-13-17-24(18-14-22)28-21-32(34,27-11-7-4-8-12-27)30(31(33)26-9-5-3-6-10-26)29(28)25-19-15-23(2)16-20-25/h3-20,28-30,34H,21H2,1-2H3/t28-,29-,30-,32+/m1/s1
InChIKeyXSIWOYLHDVFYRO-NLLMHJBRSA-N
XLogP6.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone
CID 11827032
methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate
CID 101480182
(2S,3S,4S,6S)-3-benzoyl-4-hydroxy-2,6-bis(4-methylphenyl)-4-phenylcyclohexane-1,1-dicarbonitrile
CID 26475608
(2S,3R,4R,6S)-3-benzoyl-4-hydroxy-2,6-bis(4-methylphenyl)-4-phenylcyclohexane-1,1-dicarbonitrile
CID 100884599
(2R,3S,4R,5R)-2,4-dibenzoyl-5-hydroxy-5-methyl-3-(4-methylphenyl)cyclohexan-1-one
CID 98124958
(2S,3S,4S,5R)-2,4-dibenzoyl-5-hydroxy-5-methyl-3-(4-methylphenyl)cyclohexan-1-one
CID 124756410
(2S,3S,4R,5R)-2,4-dibenzoyl-5-hydroxy-5-methyl-3-(4-methylphenyl)cyclohexan-1-one
CID 98124957
[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
CID 102521707
9-hydroxy-10-(4-methylbenzoyl)-9-(4-methylphenyl)-7,11-diphenyl-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione
CID 57342385
methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate
CID 101480183
(1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one
CID 56839059
1,2,3,4,5-pentakis-phenylcyclohexan-1-ol
CID 141127283

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone?
The IUPAC name of [(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone (CID 11476370) is [(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone.
What is the SMILES notation for [(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone?
The canonical SMILES for [(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone is Cc1ccc([C@@H]2[C@@H](c3ccc(C)cc3)C[C@](O)(c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1.
What is the InChIKey of [(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone?
The InChIKey is XSIWOYLHDVFYRO-NLLMHJBRSA-N. The full InChI is InChI=1S/C32H30O2/c1-22-13-17-24(18-14-22)28-21-32(34,27-11-7-4-8-12-27)30(31(33)26-9-5-3-6-10-26)29(28)25-19-15-23(2)16-20-25/h3-20,28-30,34H,21H2,1-2H3/t28-,29-,30-,32+/m1/s1.
What are the key properties of [(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone?
[(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone has a molecular weight of 446.59 g/mol, XLogP of 6.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone is sourced from PubChem (CID 11476370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).