2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid

C15H13ClO4 — CID 53227218

IUPAC2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(Cl)c2)c(OC)c1
InChIInChI=1S/C15H13ClO4/c1-19-10-4-6-11(14(8-10)20-2)9-3-5-12(15(17)18)13(16)7-9/h3-8H,1-2H3,(H,17,18)
InChIKeyKWXBZNVMGRTRPY-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.72
Rot. Bonds4

About 2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid

2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid (PubChem CID 53227218) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid
PubChem CID53227218
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(Cl)c2)c(OC)c1
InChIInChI=1S/C15H13ClO4/c1-19-10-4-6-11(14(8-10)20-2)9-3-5-12(15(17)18)13(16)7-9/h3-8H,1-2H3,(H,17,18)
InChIKeyKWXBZNVMGRTRPY-UHFFFAOYSA-N
XLogP3.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226266
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 53223746
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82296819
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
5-bromo-2,4-dimethoxybenzoic acid;2,4-dimethoxybenzoic acid
CID 158809754

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid?
The IUPAC name of 2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid (CID 53227218) is 2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid is COc1ccc(-c2ccc(C(=O)O)c(Cl)c2)c(OC)c1.
What is the InChIKey of 2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid?
The InChIKey is KWXBZNVMGRTRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-19-10-4-6-11(14(8-10)20-2)9-3-5-12(15(17)18)13(16)7-9/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid?
2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid has a molecular weight of 292.72 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,4-dimethoxyphenyl)benzoic acid is sourced from PubChem (CID 53227218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).