2-methoxy-5-methylbenzene-1,3-dicarboxylic acid

C10H10O5 — CID 59710724

IUPAC2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
SMILESCOc1c(C(=O)O)cc(C)cc1C(=O)O
InChIInChI=1S/C10H10O5/c1-5-3-6(9(11)12)8(15-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyCNUZJIPDYNRVJH-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.40
Rot. Bonds3

About 2-methoxy-5-methylbenzene-1,3-dicarboxylic acid

2-methoxy-5-methylbenzene-1,3-dicarboxylic acid (PubChem CID 59710724) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-methoxy-5-methylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
PubChem CID59710724
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
SMILESCOc1c(C(=O)O)cc(C)cc1C(=O)O
InChIInChI=1S/C10H10O5/c1-5-3-6(9(11)12)8(15-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyCNUZJIPDYNRVJH-UHFFFAOYSA-N
XLogP1.40
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-5-methylbenzene-1,3-dicarboxylic 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

3-(2,3-dihydroxy-2-methylpropyl)-2-methoxy-5-methylbenzoic acid
CID 21129933
2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
3-methoxy-5-methylphthalic acid
CID 12908895
5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid
CID 19691011
3-methoxy-5-methyl-2-(trifluoromethylsulfonyloxy)benzoic acid
CID 10990645
2-acetyloxy-3,5-dimethylbenzoic acid
CID 50883231
3-bromo-2-methoxy-4,5-dimethylbenzoic acid
CID 50882990
2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid
CID 83068338
5-cyano-2-methoxy-3-methylbenzoic acid
CID 131074131
3,5-dibromo-2-methoxybenzoic acid
CID 643392
2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid
CID 175186064
3-bromo-5-ethyl-2-methoxybenzoic acid
CID 50882139

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 2-methoxy-5-methylbenzene-1,3-dicarboxylic acid (CID 59710724) is 2-methoxy-5-methylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-methoxy-5-methylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 2-methoxy-5-methylbenzene-1,3-dicarboxylic acid is COc1c(C(=O)O)cc(C)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-methylbenzene-1,3-dicarboxylic acid?
The InChIKey is CNUZJIPDYNRVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-5-3-6(9(11)12)8(15-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-methoxy-5-methylbenzene-1,3-dicarboxylic acid?
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid has a molecular weight of 210.18 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 59710724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).