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

C32H30O2 — CID 72976312

IUPAC[2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
SMILESCc1ccc(C2CC(O)(c3ccccc3)C(C(=O)c3ccccc3)C2c2ccc(C)cc2)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
InChIKeyXSIWOYLHDVFYRO-UHFFFAOYSA-N
MW446.59 g/mol
LogP6.96
Rot. Bonds5

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

[2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone (PubChem CID 72976312) has the molecular formula C32H30O2 and a molecular weight of 446.59 g/mol. Its IUPAC name is [2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone.

Molecular Properties

Compound Name[2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
PubChem CID72976312
Molecular FormulaC32H30O2
Molecular Weight446.59 g/mol
Exact Mass446.22
IUPAC Name[2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
SMILESCc1ccc(C2CC(O)(c3ccccc3)C(C(=O)c3ccccc3)C2c2ccc(C)cc2)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
InChIKeyXSIWOYLHDVFYRO-UHFFFAOYSA-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 [2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone?
The IUPAC name of [2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone (CID 72976312) is [2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone.
What is the SMILES notation for [2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone?
The canonical SMILES for [2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone is Cc1ccc(C2CC(O)(c3ccccc3)C(C(=O)c3ccccc3)C2c2ccc(C)cc2)cc1.
What is the InChIKey of [2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone?
The InChIKey is XSIWOYLHDVFYRO-UHFFFAOYSA-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.
What are the key properties of [2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone?
[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 [2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone is sourced from PubChem (CID 72976312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).