2-methoxy-5-methylbenzoic acid

C9H10O3 — CID 520167

IUPAC2-methoxy-5-methylbenzoic acid
SMILESCOc1ccc(C)cc1C(=O)O
InChIInChI=1S/C9H10O3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKeyQEFQGRZFYWPDSU-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.70
Rot. Bonds2

About 2-methoxy-5-methylbenzoic acid

2-methoxy-5-methylbenzoic acid (PubChem CID 520167) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-methoxy-5-methylbenzoic acid.

Molecular Properties

Compound Name2-methoxy-5-methylbenzoic acid
PubChem CID520167
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-methoxy-5-methylbenzoic acid
SMILESCOc1ccc(C)cc1C(=O)O
InChIInChI=1S/C9H10O3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKeyQEFQGRZFYWPDSU-UHFFFAOYSA-N
XLogP1.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-5-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylbenzoic acid?
The IUPAC name of 2-methoxy-5-methylbenzoic acid (CID 520167) is 2-methoxy-5-methylbenzoic acid.
What is the SMILES notation for 2-methoxy-5-methylbenzoic acid?
The canonical SMILES for 2-methoxy-5-methylbenzoic acid is COc1ccc(C)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-methylbenzoic acid?
The InChIKey is QEFQGRZFYWPDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11).
What are the key properties of 2-methoxy-5-methylbenzoic acid?
2-methoxy-5-methylbenzoic acid has a molecular weight of 166.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylbenzoic acid is sourced from PubChem (CID 520167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).