(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone

C14H17ClO2 — CID 107176355

IUPAC(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
SMILESCOc1ccc(C(=O)C2CCCC2C)cc1Cl
InChIInChI=1S/C14H17ClO2/c1-9-4-3-5-11(9)14(16)10-6-7-13(17-2)12(15)8-10/h6-9,11H,3-5H2,1-2H3
InChIKeyDVUANSHMMJLIFC-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.97
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone

(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone (PubChem CID 107176355) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
PubChem CID107176355
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
SMILESCOc1ccc(C(=O)C2CCCC2C)cc1Cl
InChIInChI=1S/C14H17ClO2/c1-9-4-3-5-11(9)14(16)10-6-7-13(17-2)12(15)8-10/h6-9,11H,3-5H2,1-2H3
InChIKeyDVUANSHMMJLIFC-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176707
(2,5-dichloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176675
(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759516
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892546
(3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65154431
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
(3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126417
1,3-dimethyl-5-(2-methylcyclopentanecarbonyl)benzimidazol-2-one
CID 107176513
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228414
1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860808
(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone
CID 107176582

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone (CID 107176355) is (3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone is COc1ccc(C(=O)C2CCCC2C)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone?
The InChIKey is DVUANSHMMJLIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-9-4-3-5-11(9)14(16)10-6-7-13(17-2)12(15)8-10/h6-9,11H,3-5H2,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone?
(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone has a molecular weight of 252.74 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107176355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).