3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one

C21H23ClO2 — CID 58762761

IUPAC3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one
SMILESO=C(CCc1ccc(OCc2ccccc2)c(Cl)c1)C1CCCC1
InChIInChI=1S/C21H23ClO2/c22-19-14-16(10-12-20(23)18-8-4-5-9-18)11-13-21(19)24-15-17-6-2-1-3-7-17/h1-3,6-7,11,13-14,18H,4-5,8-10,12,15H2
InChIKeyVUMONQAMOQADBB-UHFFFAOYSA-N
MW342.87 g/mol
LogP5.61
Rot. Bonds7

About 3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one

3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one (PubChem CID 58762761) has the molecular formula C21H23ClO2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one
PubChem CID58762761
Molecular FormulaC21H23ClO2
Molecular Weight342.87 g/mol
Exact Mass342.14
IUPAC Name3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one
SMILESO=C(CCc1ccc(OCc2ccccc2)c(Cl)c1)C1CCCC1
InChIInChI=1S/C21H23ClO2/c22-19-14-16(10-12-20(23)18-8-4-5-9-18)11-13-21(19)24-15-17-6-2-1-3-7-17/h1-3,6-7,11,13-14,18H,4-5,8-10,12,15H2
InChIKeyVUMONQAMOQADBB-UHFFFAOYSA-N
XLogP5.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.87
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one
CID 58762696
(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone
CID 82550709
3-(4-chloro-3-fluorophenyl)-1-cyclopentylpropan-1-one
CID 107882824
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
5-(3-cyclopentyloxy-4-phenylmethoxyphenyl)pent-1-en-3-one
CID 154984487
3-[3-chloro-4-[(2-cyclopentylsulfanyl-3-pyridinyl)methoxy]phenyl]propanoic acid
CID 74222790
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
1-[(3-chloro-4-phenylmethoxyphenyl)methyl]cyclohexan-1-ol
CID 143036793
3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
CID 117468024
1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one
CID 24726480

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one?
The IUPAC name of 3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one (CID 58762761) is 3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one.
What is the SMILES notation for 3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one?
The canonical SMILES for 3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one is O=C(CCc1ccc(OCc2ccccc2)c(Cl)c1)C1CCCC1.
What is the InChIKey of 3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one?
The InChIKey is VUMONQAMOQADBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClO2/c22-19-14-16(10-12-20(23)18-8-4-5-9-18)11-13-21(19)24-15-17-6-2-1-3-7-17/h1-3,6-7,11,13-14,18H,4-5,8-10,12,15H2.
What are the key properties of 3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one?
3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one has a molecular weight of 342.87 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one is sourced from PubChem (CID 58762761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).