4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one

C16H14ClNO2 — CID 156892057

IUPAC4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2c(OCc3ccc(Cl)cc3)cccc2C1=O
InChIInChI=1S/C16H14ClNO2/c1-18-9-14-13(16(18)19)3-2-4-15(14)20-10-11-5-7-12(17)8-6-11/h2-8H,9-10H2,1H3
InChIKeyGBVHMLUKJHAGBA-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.50
Rot. Bonds3

About 4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one

4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one (PubChem CID 156892057) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
PubChem CID156892057
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2c(OCc3ccc(Cl)cc3)cccc2C1=O
InChIInChI=1S/C16H14ClNO2/c1-18-9-14-13(16(18)19)3-2-4-15(14)20-10-11-5-7-12(17)8-6-11/h2-8H,9-10H2,1H3
InChIKeyGBVHMLUKJHAGBA-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one 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

4-[(2,4-dichlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
CID 156892033
5-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152029
4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one
CID 154000705
7-[(4-chlorophenyl)methoxy]-2,3-dihydroisoindol-1-one;7-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
CID 163828370
2-methyl-5-[[4-(trifluoromethoxy)phenyl]methoxy]-3,4-dihydroisoquinolin-1-one
CID 156892030
2-fluoro-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxymethyl]benzonitrile
CID 156892063
5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152064
2-[(4-fluorophenyl)methyl]-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one
CID 2152027
2-[(4-chlorophenyl)methyl]-5-methoxy-3,4-dihydroisoquinolin-1-one
CID 4054509
4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 63090320
5-[[2-chloro-3-(trifluoromethyl)phenyl]methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 156892072
2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one
CID 3375106

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one (CID 156892057) is 4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one is CN1Cc2c(OCc3ccc(Cl)cc3)cccc2C1=O.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one?
The InChIKey is GBVHMLUKJHAGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-18-9-14-13(16(18)19)3-2-4-15(14)20-10-11-5-7-12(17)8-6-11/h2-8H,9-10H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one?
4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one has a molecular weight of 287.75 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 156892057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).