3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid

C15H13ClO4 — CID 82039088

IUPAC3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2ccccc2Cl)c1OC
InChIInChI=1S/C15H13ClO4/c1-19-13-8-9(15(17)18)7-11(14(13)20-2)10-5-3-4-6-12(10)16/h3-8H,1-2H3,(H,17,18)
InChIKeyXATMTRJRAMXACB-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.72
Rot. Bonds4

About 3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid

3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid (PubChem CID 82039088) has the molecular formula C15H13ClO4 and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid
PubChem CID82039088
Molecular FormulaC15H13ClO4
Molecular Weight292.72 g/mol
Exact Mass292.05
IUPAC Name3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2ccccc2Cl)c1OC
InChIInChI=1S/C15H13ClO4/c1-19-13-8-9(15(17)18)7-11(14(13)20-2)10-5-3-4-6-12(10)16/h3-8H,1-2H3,(H,17,18)
InChIKeyXATMTRJRAMXACB-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

3-(2-aminophenyl)-4,5-dimethoxybenzoic acid
CID 82038920
1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid
CID 165354130
1-[3-(2-chlorophenyl)-4-methoxyphenyl]ethanone
CID 82541177
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
3-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
3-(3,4-dichlorophenyl)-4-ethoxy-5-methoxybenzoic acid
CID 16768705
3,4-dibenzoyloxy-5-methoxybenzoic acid
CID 90121898
3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 8707053
methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate
CID 11637956
3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid
CID 166398717
4-(2-chloro-5-methoxycarbonylphenyl)-3-methoxybenzoic acid
CID 53228447

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid?
The IUPAC name of 3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid (CID 82039088) is 3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid is COc1cc(C(=O)O)cc(-c2ccccc2Cl)c1OC.
What is the InChIKey of 3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid?
The InChIKey is XATMTRJRAMXACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO4/c1-19-13-8-9(15(17)18)7-11(14(13)20-2)10-5-3-4-6-12(10)16/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid?
3-(2-chlorophenyl)-4,5-dimethoxybenzoic 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 3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 82039088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).