2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one

C20H22O2 — CID 138965375

IUPAC2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one
SMILESO=C1CCCC1C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H22O2/c21-19-13-7-12-18(19)20(22,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18,22H,7,12-15H2
InChIKeyZYETYLVOQADEBS-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.57
Rot. Bonds5

About 2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one

2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one (PubChem CID 138965375) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one
PubChem CID138965375
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one
SMILESO=C1CCCC1C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H22O2/c21-19-13-7-12-18(19)20(22,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18,22H,7,12-15H2
InChIKeyZYETYLVOQADEBS-UHFFFAOYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(1S)-1-hydroxy-1-phenylpropyl]cyclohexan-1-one
CID 102452040
2-benzyl-2-hydroxybut-3-enoic acid
CID 101385573
2-(4-benzylpiperidin-1-yl)cyclopentan-1-one
CID 43794813
6-benzyl-2,3-dihydroxycyclodecan-1-one
CID 22319895
2-(2,3,3-trimethylbutan-2-yl)cyclopentan-1-one
CID 23559828
cis-(2S,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclohexan-1-one
CID 101184924
2-[methyl(2-phenylethyl)amino]cyclopentan-1-one
CID 65488015
cis-(2S,3S)-2-benzyl-3-ethylcyclohexan-1-one
CID 10443310
(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
CID 101333052
2-[(2-phenylethylamino)methyl]cyclopentan-1-one
CID 57039935
(3aS,7aS)-1-benzyl-3,3a,5,6,7,7a-hexahydro-2H-indol-4-one
CID 86591295
(6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one
CID 139445237

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one?
The IUPAC name of 2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one (CID 138965375) is 2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one?
The canonical SMILES for 2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one is O=C1CCCC1C(O)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one?
The InChIKey is ZYETYLVOQADEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c21-19-13-7-12-18(19)20(22,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18,22H,7,12-15H2.
What are the key properties of 2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one?
2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one has a molecular weight of 294.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1,3-diphenylpropan-2-yl)cyclopentan-1-one is sourced from PubChem (CID 138965375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).