1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone

C14H18ClNO2 — CID 116917060

IUPAC1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone
SMILESCOc1cc(C)c(Cl)cc1C(=O)CC1CCNC1
InChIInChI=1S/C14H18ClNO2/c1-9-5-14(18-2)11(7-12(9)15)13(17)6-10-3-4-16-8-10/h5,7,10,16H,3-4,6,8H2,1-2H3
InChIKeyLFJUGDKJNPNYHA-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.84
Rot. Bonds4

About 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone

1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone (PubChem CID 116917060) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone
PubChem CID116917060
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone
SMILESCOc1cc(C)c(Cl)cc1C(=O)CC1CCNC1
InChIInChI=1S/C14H18ClNO2/c1-9-5-14(18-2)11(7-12(9)15)13(17)6-10-3-4-16-8-10/h5,7,10,16H,3-4,6,8H2,1-2H3
InChIKeyLFJUGDKJNPNYHA-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone 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-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116583525
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116917076
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916868
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone
CID 116564241
1-(4-fluoro-2-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116583575
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 82053056
1-(3-bromo-4-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116917050
(4-chloro-2-methoxy-5-methylphenyl)-cyclopropylmethanone;(5-chloro-2-methoxy-4-methylphenyl)-cyclopropylmethanone;ethane
CID 143337733
1-(5-bromo-2-methoxy-4-methylphenyl)-2-cyclohexylethanone
CID 65439529
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone
CID 114669849

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone (CID 116917060) is 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone is COc1cc(C)c(Cl)cc1C(=O)CC1CCNC1.
What is the InChIKey of 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone?
The InChIKey is LFJUGDKJNPNYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-5-14(18-2)11(7-12(9)15)13(17)6-10-3-4-16-8-10/h5,7,10,16H,3-4,6,8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone?
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone has a molecular weight of 267.76 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 116917060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).