3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one

C23H24O2 — CID 66879244

IUPAC3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one
SMILESO=C1CCC(C2CCCC2)=C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H24O2/c24-22-15-14-21(18-8-4-5-9-18)23(22)19-10-12-20(13-11-19)25-16-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14-16H2
InChIKeyNMKOQBBMVDCNOM-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.57
Rot. Bonds5

About 3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one

3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one (PubChem CID 66879244) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one
PubChem CID66879244
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one
SMILESO=C1CCC(C2CCCC2)=C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H24O2/c24-22-15-14-21(18-8-4-5-9-18)23(22)19-10-12-20(13-11-19)25-16-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14-16H2
InChIKeyNMKOQBBMVDCNOM-UHFFFAOYSA-N
XLogP5.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 146533306
3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one
CID 67894059
1-[(4-chlorophenyl)methoxy]-4-(2-cyclopentylphenyl)benzene
CID 174401977
1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
CID 13187522
2-[3-(4-phenylmethoxyphenyl)cyclohexylidene]acetic acid
CID 68685222
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CID 4723001
N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline
CID 90023157
[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 23961585
3-(3-phenylmethoxyphenyl)cyclohexan-1-one
CID 18955612
(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
CID 155535405
3-(phenylmethoxymethyl)-1,4,5,6,7,7a-hexahydroinden-2-one
CID 100982876
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CID 141093047

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one?
The IUPAC name of 3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one (CID 66879244) is 3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one is O=C1CCC(C2CCCC2)=C1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one?
The InChIKey is NMKOQBBMVDCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c24-22-15-14-21(18-8-4-5-9-18)23(22)19-10-12-20(13-11-19)25-16-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14-16H2.
What are the key properties of 3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one?
3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one has a molecular weight of 332.44 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-phenylmethoxyphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 66879244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).