2,4-dimethoxybenzoic acid

C9H10O4 — CID 7052

IUPAC2,4-dimethoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)
InChIKeyGPVDHNVGGIAOQT-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.40
Rot. Bonds3

About 2,4-dimethoxybenzoic acid

2,4-dimethoxybenzoic acid (PubChem CID 7052) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2,4-dimethoxybenzoic acid.

Molecular Properties

Compound Name2,4-dimethoxybenzoic acid
PubChem CID7052
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name2,4-dimethoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)
InChIKeyGPVDHNVGGIAOQT-UHFFFAOYSA-N
XLogP1.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethoxybenzoic acid
CID 67450326
5-bromo-2,4-dimethoxybenzoic acid;2,4-dimethoxybenzoic acid
CID 158809754
2,4-dimethoxybenzoate
CID 6947027
4-methoxy-2-pyridin-4-yloxybenzoic acid
CID 58236553
2-(dimethylcarbamothioyloxy)-4-methoxybenzoic acid
CID 88601716
2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309181
2-(2,4-dimethoxyphenyl)-2-hydroxyethenone
CID 86181378
(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate
CID 171476388
2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid
CID 61379603
4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid
CID 81308953
4-methoxy-2-(3-methylbut-2-enoxy)benzoic acid
CID 60693202
2-but-2-enoxy-4-methoxybenzoic acid
CID 61379318

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxybenzoic acid?
The IUPAC name of 2,4-dimethoxybenzoic acid (CID 7052) is 2,4-dimethoxybenzoic acid.
What is the SMILES notation for 2,4-dimethoxybenzoic acid?
The canonical SMILES for 2,4-dimethoxybenzoic acid is COc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 2,4-dimethoxybenzoic acid?
The InChIKey is GPVDHNVGGIAOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11).
What are the key properties of 2,4-dimethoxybenzoic acid?
2,4-dimethoxybenzoic acid has a molecular weight of 182.17 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxybenzoic acid is sourced from PubChem (CID 7052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).