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

C30H24Cl2O2 — CID 11827032

IUPAC[(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C[C@]1(O)c1ccccc1
InChIInChI=1S/C30H24Cl2O2/c31-24-15-11-20(12-16-24)26-19-30(34,23-9-5-2-6-10-23)28(29(33)22-7-3-1-4-8-22)27(26)21-13-17-25(32)18-14-21/h1-18,26-28,34H,19H2/t26-,27-,28-,30+/m1/s1
InChIKeyJHLYWLSVHMSRIQ-KMPDWKOJSA-N
MW487.43 g/mol
LogP7.65
Rot. Bonds5

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

[(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone (PubChem CID 11827032) has the molecular formula C30H24Cl2O2 and a molecular weight of 487.43 g/mol. Its IUPAC name is [(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone.

Molecular Properties

Compound Name[(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone
PubChem CID11827032
Molecular FormulaC30H24Cl2O2
Molecular Weight487.43 g/mol
Exact Mass486.12
IUPAC Name[(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C[C@]1(O)c1ccccc1
InChIInChI=1S/C30H24Cl2O2/c31-24-15-11-20(12-16-24)26-19-30(34,23-9-5-2-6-10-23)28(29(33)22-7-3-1-4-8-22)27(26)21-13-17-25(32)18-14-21/h1-18,26-28,34H,19H2/t26-,27-,28-,30+/m1/s1
InChIKeyJHLYWLSVHMSRIQ-KMPDWKOJSA-N
XLogP7.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
CID 11476370
methyl (1S,2S,4S,5R)-2-hydroxy-2,4,5-triphenylcyclopentane-1-carboxylate
CID 101480182
1,2,3,4,5-pentakis-phenylcyclohexan-1-ol
CID 141127283
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097
(1S,5S)-7-benzoyl-1-hydroxy-6-phenylbicyclo[3.2.1]octan-8-one
CID 56839059
(2S,3R,4S,6R)-3-benzoyl-4-hydroxy-2,4,6-triphenylcyclohexane-1,1-dicarbonitrile
CID 139069447
(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-2,6-bis(4-fluorophenyl)-4-hydroxy-4-phenylcyclohexane-1,1-dicarbonitrile
CID 95167400
(2S,3R,4R,6S)-3-benzoyl-4-hydroxy-2,6-bis(4-methylphenyl)-4-phenylcyclohexane-1,1-dicarbonitrile
CID 100884599
2-[(1R,2R)-2-(4-chlorophenyl)-2-hydroxycyclopropyl]-1-phenylethanone
CID 11522072
methyl (1S,2S,4S,5R)-2-hydroxy-4-naphthalen-2-yl-2,5-diphenylcyclopentane-1-carboxylate
CID 101480183
[(1R,2S,3R,4R,5R)-3,4-dibenzoyl-2-(4-fluorobenzoyl)-5-hydroxy-5-phenylcyclohexyl]-phenylmethanone
CID 129419567

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone?
The IUPAC name of [(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone (CID 11827032) is [(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone.
What is the SMILES notation for [(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone?
The canonical SMILES for [(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone is O=C(c1ccccc1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C[C@]1(O)c1ccccc1.
What is the InChIKey of [(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone?
The InChIKey is JHLYWLSVHMSRIQ-KMPDWKOJSA-N. The full InChI is InChI=1S/C30H24Cl2O2/c31-24-15-11-20(12-16-24)26-19-30(34,23-9-5-2-6-10-23)28(29(33)22-7-3-1-4-8-22)27(26)21-13-17-25(32)18-14-21/h1-18,26-28,34H,19H2/t26-,27-,28-,30+/m1/s1.
What are the key properties of [(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone?
[(1S,2R,4S,5R)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone has a molecular weight of 487.43 g/mol, XLogP of 7.65, 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)-4,5-bis(4-chlorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone is sourced from PubChem (CID 11827032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).