(2-chlorophenyl)-(1-hydroxycyclopentyl)methanone

C12H13ClO2 — CID 827018

IUPAC(2-chlorophenyl)-(1-hydroxycyclopentyl)methanone
SMILESO=C(c1ccccc1Cl)C1(O)CCCC1
InChIInChI=1S/C12H13ClO2/c13-10-6-2-1-5-9(10)11(14)12(15)7-3-4-8-12/h1-2,5-6,15H,3-4,7-8H2
InChIKeyOVTPOHDQDJTAEF-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.83
Rot. Bonds2

About (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone

(2-chlorophenyl)-(1-hydroxycyclopentyl)methanone (PubChem CID 827018) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(1-hydroxycyclopentyl)methanone
PubChem CID827018
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name(2-chlorophenyl)-(1-hydroxycyclopentyl)methanone
SMILESO=C(c1ccccc1Cl)C1(O)CCCC1
InChIInChI=1S/C12H13ClO2/c13-10-6-2-1-5-9(10)11(14)12(15)7-3-4-8-12/h1-2,5-6,15H,3-4,7-8H2
InChIKeyOVTPOHDQDJTAEF-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-2-methyl-1-phenylpropan-1-one
CID 81984
2-Chlorophenyl cyclopentyl ketone
CID 81223
4-Chlorophenylglyoxylic acid
CID 145998
1-(4-Chlorophenyl)-2-hydroxyethan-1-one
CID 587085
4-(2-Chloro-phenyl)-2,4-dioxo-butyric acid
CID 10466274
2-(2-Chlorophenyl)-2-hydroxycyclohexan-1-one
CID 129318411
6-(2-Chlorophenyl)-2,4,6-trioxohexanoic acid
CID 20832148
1-(3-Chlorophenyl)-2-hydroxypropan-1-one
CID 18323632
2-(2-Chloro-3-propanoylphenyl)acetic acid
CID 10398812
1-(4-Chlorophenyl)-2-hydroxypropan-1-one
CID 11063098
2-Chloro-3-(2-hydroxyethyl)benzaldehyde
CID 57988929
2-(4-Chloro-3-fluorophenyl)-2-oxoacetic acid
CID 91655065

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone?
The IUPAC name of (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone (CID 827018) is (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone?
The canonical SMILES for (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone is O=C(c1ccccc1Cl)C1(O)CCCC1.
What is the InChIKey of (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone?
The InChIKey is OVTPOHDQDJTAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c13-10-6-2-1-5-9(10)11(14)12(15)7-3-4-8-12/h1-2,5-6,15H,3-4,7-8H2.
What are the key properties of (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone?
(2-chlorophenyl)-(1-hydroxycyclopentyl)methanone has a molecular weight of 224.69 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 827018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).