3,4-dimethoxy-2-methylbenzoic acid

C10H12O4 — CID 11788818

IUPAC3,4-dimethoxy-2-methylbenzoic acid
SMILESCOc1ccc(C(=O)O)c(C)c1OC
InChIInChI=1S/C10H12O4/c1-6-7(10(11)12)4-5-8(13-2)9(6)14-3/h4-5H,1-3H3,(H,11,12)
InChIKeyOUEJXYZKZCQELU-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.71
Rot. Bonds3

About 3,4-dimethoxy-2-methylbenzoic acid

3,4-dimethoxy-2-methylbenzoic acid (PubChem CID 11788818) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3,4-dimethoxy-2-methylbenzoic acid.

Molecular Properties

Compound Name3,4-dimethoxy-2-methylbenzoic acid
PubChem CID11788818
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3,4-dimethoxy-2-methylbenzoic acid
SMILESCOc1ccc(C(=O)O)c(C)c1OC
InChIInChI=1S/C10H12O4/c1-6-7(10(11)12)4-5-8(13-2)9(6)14-3/h4-5H,1-3H3,(H,11,12)
InChIKeyOUEJXYZKZCQELU-UHFFFAOYSA-N
XLogP1.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Vanillylmandelic Acid
CID 1245
Vanillic Acid
CID 8468
Acetovanillone
CID 2214
Syringic Acid
CID 10742
Homovanillic Acid
CID 1738
Veratric Acid
CID 7121
3,4,5-Trimethoxybenzoic Acid
CID 8357
Acetosyringone
CID 17198
4-Methoxybenzoic Acid
CID 7478
Ethyl 3,4-Dihydroxybenzoate
CID 77547
Bergenin
CID 66065
1,3-Benzodioxole-5-carboxylic acid
CID 7196

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-methylbenzoic acid?
The IUPAC name of 3,4-dimethoxy-2-methylbenzoic acid (CID 11788818) is 3,4-dimethoxy-2-methylbenzoic acid.
What is the SMILES notation for 3,4-dimethoxy-2-methylbenzoic acid?
The canonical SMILES for 3,4-dimethoxy-2-methylbenzoic acid is COc1ccc(C(=O)O)c(C)c1OC.
What is the InChIKey of 3,4-dimethoxy-2-methylbenzoic acid?
The InChIKey is OUEJXYZKZCQELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-6-7(10(11)12)4-5-8(13-2)9(6)14-3/h4-5H,1-3H3,(H,11,12).
What are the key properties of 3,4-dimethoxy-2-methylbenzoic acid?
3,4-dimethoxy-2-methylbenzoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-methylbenzoic acid is sourced from PubChem (CID 11788818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).