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

C14H17ClO2 — CID 58762696

IUPAC3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one
SMILESO=C(CCc1ccc(O)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H17ClO2/c15-12-9-10(6-8-14(12)17)5-7-13(16)11-3-1-2-4-11/h6,8-9,11,17H,1-5,7H2
InChIKeyGHGFQHHMURXDKE-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.74
Rot. Bonds4

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

3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one (PubChem CID 58762696) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one
PubChem CID58762696
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one
SMILESO=C(CCc1ccc(O)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H17ClO2/c15-12-9-10(6-8-14(12)17)5-7-13(16)11-3-1-2-4-11/h6,8-9,11,17H,1-5,7H2
InChIKeyGHGFQHHMURXDKE-UHFFFAOYSA-N
XLogP3.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one
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1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one
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2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
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2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol
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1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one
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3-(2-chloro-6-iodophenyl)-1-cyclohexylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one?
The IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one (CID 58762696) is 3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one.
What is the SMILES notation for 3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one?
The canonical SMILES for 3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one is O=C(CCc1ccc(O)c(Cl)c1)C1CCCC1.
What is the InChIKey of 3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one?
The InChIKey is GHGFQHHMURXDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c15-12-9-10(6-8-14(12)17)5-7-13(16)11-3-1-2-4-11/h6,8-9,11,17H,1-5,7H2.
What are the key properties of 3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one?
3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one has a molecular weight of 252.74 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hydroxyphenyl)-1-cyclopentylpropan-1-one is sourced from PubChem (CID 58762696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).