(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone

C14H17ClO2 — CID 107559939

IUPAC(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
SMILESCOC1(C(=O)c2ccc(C)c(Cl)c2)CCCC1
InChIInChI=1S/C14H17ClO2/c1-10-5-6-11(9-12(10)15)13(16)14(17-2)7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyMIAUKIRHOLKBBW-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.79
Rot. Bonds3

About (3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone

(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone (PubChem CID 107559939) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
PubChem CID107559939
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
SMILESCOC1(C(=O)c2ccc(C)c(Cl)c2)CCCC1
InChIInChI=1S/C14H17ClO2/c1-10-5-6-11(9-12(10)15)13(16)14(17-2)7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyMIAUKIRHOLKBBW-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 107559961
(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974
(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
CID 116750403
(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone
CID 107559882
(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone
CID 116748095
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706927
(1-methoxycyclobutyl)-(6-methyl-3-pyridinyl)methanone
CID 116707015
(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 104610261

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone (CID 107559939) is (3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone is COC1(C(=O)c2ccc(C)c(Cl)c2)CCCC1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone?
The InChIKey is MIAUKIRHOLKBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-10-5-6-11(9-12(10)15)13(16)14(17-2)7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone?
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone has a molecular weight of 252.74 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone is sourced from PubChem (CID 107559939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).