2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid

C10H9ClO4 — CID 82288292

IUPAC2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
SMILESCOc1cc(C)c(C(=O)C(=O)O)cc1Cl
InChIInChI=1S/C10H9ClO4/c1-5-3-8(15-2)7(11)4-6(5)9(12)10(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyGJJBWFHDGZZNSD-UHFFFAOYSA-N
MW228.63 g/mol
LogP1.92
Rot. Bonds3

About 2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid

2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid (PubChem CID 82288292) has the molecular formula C10H9ClO4 and a molecular weight of 228.63 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
PubChem CID82288292
Molecular FormulaC10H9ClO4
Molecular Weight228.63 g/mol
Exact Mass228.02
IUPAC Name2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
SMILESCOc1cc(C)c(C(=O)C(=O)O)cc1Cl
InChIInChI=1S/C10H9ClO4/c1-5-3-8(15-2)7(11)4-6(5)9(12)10(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyGJJBWFHDGZZNSD-UHFFFAOYSA-N
XLogP1.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid 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

2-(5-chloro-2-ethyl-4-methoxyphenyl)-2-oxoacetic acid
CID 117358488
2-(5-chloro-4-hydroxy-2-methylphenyl)-2-oxoacetic acid
CID 117305831
2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid
CID 117333135
2-(4-chloro-3-methoxyphenyl)-2-oxoacetic acid
CID 131014896
2-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-oxoacetic acid
CID 117400181
5-chloro-4-methoxy-2-methylbenzenecarbothioamide
CID 82492980
2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate
CID 116862902
2-(5-chloro-4-methoxy-2-methylanilino)-2-oxoacetic acid
CID 82497514
4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one
CID 116916588
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762122
2-(aminomethyl)-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 116923405

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid (CID 82288292) is 2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid is COc1cc(C)c(C(=O)C(=O)O)cc1Cl.
What is the InChIKey of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid?
The InChIKey is GJJBWFHDGZZNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO4/c1-5-3-8(15-2)7(11)4-6(5)9(12)10(13)14/h3-4H,1-2H3,(H,13,14).
What are the key properties of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid?
2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid has a molecular weight of 228.63 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid is sourced from PubChem (CID 82288292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).