3-Methylsalicylic Acid

C8H8O3 — CID 6738

IUPAC2-hydroxy-3-methylbenzoic acid
SMILESCC1=C(C(=CC=C1)C(=O)O)O
InChIInChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKeyWHSXTWFYRGOBGO-UHFFFAOYSA-N
MW152.15 g/mol
LogP2.90
Rot. Bonds1

About 3-Methylsalicylic Acid

3-Methylsalicylic Acid (PubChem CID 6738) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name3-Methylsalicylic Acid
PubChem CID6738
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2-hydroxy-3-methylbenzoic acid
SMILESCC1=C(C(=CC=C1)C(=O)O)O
InChIInChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKeyWHSXTWFYRGOBGO-UHFFFAOYSA-N
XLogP2.90
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity155

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-Methylsalicylic 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 3-Methylsalicylic Acid?
The IUPAC name of 3-Methylsalicylic Acid (CID 6738) is 2-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 3-Methylsalicylic Acid?
The canonical SMILES for 3-Methylsalicylic Acid is CC1=C(C(=CC=C1)C(=O)O)O.
What is the InChIKey of 3-Methylsalicylic Acid?
The InChIKey is WHSXTWFYRGOBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11).
What are the key properties of 3-Methylsalicylic Acid?
3-Methylsalicylic Acid has a molecular weight of 152.15 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methylsalicylic Acid is sourced from PubChem (CID 6738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).