4-hydroxy-3-methoxybenzoic acid

C8H8O4 — CID 8468

IUPAC4-hydroxy-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1O
InChIInChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKeyWKOLLVMJNQIZCI-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.10
Rot. Bonds2

About 4-hydroxy-3-methoxybenzoic acid

4-hydroxy-3-methoxybenzoic acid (PubChem CID 8468) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-hydroxy-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-methoxybenzoic acid
PubChem CID8468
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name4-hydroxy-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1O
InChIInChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKeyWKOLLVMJNQIZCI-UHFFFAOYSA-N
XLogP1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-3-methoxybenzoic 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

Vanillin
CID 1183
Ferulic Acid
CID 445858
Propyl Gallate
CID 4947
Protocatechuic Acid
CID 72
Vanillylmandelic Acid
CID 1245
Ethylvanillin
CID 8467
Octyl Gallate
CID 61253
Acetovanillone
CID 2214
Syringic Acid
CID 10742
Dodecyl Gallate
CID 14425
Homovanillic Acid
CID 1738
Veratric Acid
CID 7121

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxybenzoic acid?
The IUPAC name of 4-hydroxy-3-methoxybenzoic acid (CID 8468) is 4-hydroxy-3-methoxybenzoic acid.
What is the SMILES notation for 4-hydroxy-3-methoxybenzoic acid?
The canonical SMILES for 4-hydroxy-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1O.
What is the InChIKey of 4-hydroxy-3-methoxybenzoic acid?
The InChIKey is WKOLLVMJNQIZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11).
What are the key properties of 4-hydroxy-3-methoxybenzoic acid?
4-hydroxy-3-methoxybenzoic acid has a molecular weight of 168.15 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxybenzoic acid is sourced from PubChem (CID 8468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).