3-hydroxy-2,4,6-trimethylbenzoic acid

C10H12O3 — CID 84657275

IUPAC3-hydroxy-2,4,6-trimethylbenzoic acid
SMILESCc1cc(C)c(C(=O)O)c(C)c1O
InChIInChI=1S/C10H12O3/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4,11H,1-3H3,(H,12,13)
InChIKeyQMLBHINEFDRUBM-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.02
Rot. Bonds1

About 3-hydroxy-2,4,6-trimethylbenzoic acid

3-hydroxy-2,4,6-trimethylbenzoic acid (PubChem CID 84657275) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-hydroxy-2,4,6-trimethylbenzoic acid.

Molecular Properties

Compound Name3-hydroxy-2,4,6-trimethylbenzoic acid
PubChem CID84657275
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-hydroxy-2,4,6-trimethylbenzoic acid
SMILESCc1cc(C)c(C(=O)O)c(C)c1O
InChIInChI=1S/C10H12O3/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4,11H,1-3H3,(H,12,13)
InChIKeyQMLBHINEFDRUBM-UHFFFAOYSA-N
XLogP2.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-2,4,6-trimethylbenzoic 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-hydroxy-2,4,6-trimethylbenzoic acid?
The IUPAC name of 3-hydroxy-2,4,6-trimethylbenzoic acid (CID 84657275) is 3-hydroxy-2,4,6-trimethylbenzoic acid.
What is the SMILES notation for 3-hydroxy-2,4,6-trimethylbenzoic acid?
The canonical SMILES for 3-hydroxy-2,4,6-trimethylbenzoic acid is Cc1cc(C)c(C(=O)O)c(C)c1O.
What is the InChIKey of 3-hydroxy-2,4,6-trimethylbenzoic acid?
The InChIKey is QMLBHINEFDRUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4,11H,1-3H3,(H,12,13).
What are the key properties of 3-hydroxy-2,4,6-trimethylbenzoic acid?
3-hydroxy-2,4,6-trimethylbenzoic acid has a molecular weight of 180.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4,6-trimethylbenzoic acid is sourced from PubChem (CID 84657275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).