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

C32H30O2 — CID 101109662

IUPAC[(1R,2S,4R,5S)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
SMILESCc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)[C@](O)(c3ccccc3)C[C@H]2c2ccc(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/t28-,29-,30-,32+/m0/s1
InChIKeyXSIWOYLHDVFYRO-OEJLITGSSA-N
MW446.59 g/mol
LogP6.96
Rot. Bonds5

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

[(1R,2S,4R,5S)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone (PubChem CID 101109662) has the molecular formula C32H30O2 and a molecular weight of 446.59 g/mol. Its IUPAC name is [(1R,2S,4R,5S)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone.

Molecular Properties

Compound Name[(1R,2S,4R,5S)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
PubChem CID101109662
Molecular FormulaC32H30O2
Molecular Weight446.59 g/mol
Exact Mass446.22
IUPAC Name[(1R,2S,4R,5S)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
SMILESCc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)[C@](O)(c3ccccc3)C[C@H]2c2ccc(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/t28-,29-,30-,32+/m0/s1
InChIKeyXSIWOYLHDVFYRO-OEJLITGSSA-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 [(1R,2S,4R,5S)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone?
The IUPAC name of [(1R,2S,4R,5S)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone (CID 101109662) is [(1R,2S,4R,5S)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone.
What is the SMILES notation for [(1R,2S,4R,5S)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone?
The canonical SMILES for [(1R,2S,4R,5S)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone is Cc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)[C@](O)(c3ccccc3)C[C@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of [(1R,2S,4R,5S)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone?
The InChIKey is XSIWOYLHDVFYRO-OEJLITGSSA-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+/m0/s1.
What are the key properties of [(1R,2S,4R,5S)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone?
[(1R,2S,4R,5S)-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 [(1R,2S,4R,5S)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone is sourced from PubChem (CID 101109662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).