[(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone

C24H30O2 — CID 10569882

IUPAC[(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)[C@@H]2CCC[C@@]2(O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H30O2/c1-16(2)18-7-9-20(10-8-18)23(25)22-6-5-15-24(22,26)21-13-11-19(12-14-21)17(3)4/h7-14,16-17,22,26H,5-6,15H2,1-4H3/t22-,24+/m0/s1
InChIKeyFJIYTGQGXVKYEG-LADGPHEKSA-N
MW350.50 g/mol
LogP5.80
Rot. Bonds5

About [(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone

[(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone (PubChem CID 10569882) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is [(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone
PubChem CID10569882
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name[(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)[C@@H]2CCC[C@@]2(O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H30O2/c1-16(2)18-7-9-20(10-8-18)23(25)22-6-5-15-24(22,26)21-13-11-19(12-14-21)17(3)4/h7-14,16-17,22,26H,5-6,15H2,1-4H3/t22-,24+/m0/s1
InChIKeyFJIYTGQGXVKYEG-LADGPHEKSA-N
XLogP5.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone (CID 10569882) is [(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)[C@@H]2CCC[C@@]2(O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of [(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is FJIYTGQGXVKYEG-LADGPHEKSA-N. The full InChI is InChI=1S/C24H30O2/c1-16(2)18-7-9-20(10-8-18)23(25)22-6-5-15-24(22,26)21-13-11-19(12-14-21)17(3)4/h7-14,16-17,22,26H,5-6,15H2,1-4H3/t22-,24+/m0/s1.
What are the key properties of [(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone?
[(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 350.50 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-hydroxy-2-(4-propan-2-ylphenyl)cyclopentyl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 10569882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).