[(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone

C32H30O2 — CID 15308935

IUPAC[(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)C[C@]2(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H30O2/c1-22-13-17-26(18-14-22)31(33)30-29(25-11-7-4-8-12-25)28(24-9-5-3-6-10-24)21-32(30,34)27-19-15-23(2)16-20-27/h3-20,28-30,34H,21H2,1-2H3/t28-,29-,30-,32+/m1/s1
InChIKeyVKKBYCWRNXQULD-NLLMHJBRSA-N
MW446.59 g/mol
LogP6.96
Rot. Bonds5

About [(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone

[(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone (PubChem CID 15308935) has the molecular formula C32H30O2 and a molecular weight of 446.59 g/mol. Its IUPAC name is [(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone
PubChem CID15308935
Molecular FormulaC32H30O2
Molecular Weight446.59 g/mol
Exact Mass446.22
IUPAC Name[(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)C[C@]2(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H30O2/c1-22-13-17-26(18-14-22)31(33)30-29(25-11-7-4-8-12-25)28(24-9-5-3-6-10-24)21-32(30,34)27-19-15-23(2)16-20-27/h3-20,28-30,34H,21H2,1-2H3/t28-,29-,30-,32+/m1/s1
InChIKeyVKKBYCWRNXQULD-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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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone?
The IUPAC name of [(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone (CID 15308935) is [(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone?
The canonical SMILES for [(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)C[C@]2(O)c2ccc(C)cc2)cc1.
What is the InChIKey of [(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone?
The InChIKey is VKKBYCWRNXQULD-NLLMHJBRSA-N. The full InChI is InChI=1S/C32H30O2/c1-22-13-17-26(18-14-22)31(33)30-29(25-11-7-4-8-12-25)28(24-9-5-3-6-10-24)21-32(30,34)27-19-15-23(2)16-20-27/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-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone?
[(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone 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-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 15308935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).