4-hydroxy-3,5-dimethoxybenzoic acid

C9H10O5 — CID 10742

IUPAC4-hydroxy-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1O
InChIInChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
InChIKeyJMSVCTWVEWCHDZ-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.11
Rot. Bonds3

About 4-hydroxy-3,5-dimethoxybenzoic acid

4-hydroxy-3,5-dimethoxybenzoic acid (PubChem CID 10742) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethoxybenzoic acid
PubChem CID10742
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name4-hydroxy-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1O
InChIInChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
InChIKeyJMSVCTWVEWCHDZ-UHFFFAOYSA-N
XLogP1.11
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethoxybenzoic acid?
The IUPAC name of 4-hydroxy-3,5-dimethoxybenzoic acid (CID 10742) is 4-hydroxy-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 4-hydroxy-3,5-dimethoxybenzoic acid?
The canonical SMILES for 4-hydroxy-3,5-dimethoxybenzoic acid is COc1cc(C(=O)O)cc(OC)c1O.
What is the InChIKey of 4-hydroxy-3,5-dimethoxybenzoic acid?
The InChIKey is JMSVCTWVEWCHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12).
What are the key properties of 4-hydroxy-3,5-dimethoxybenzoic acid?
4-hydroxy-3,5-dimethoxybenzoic acid has a molecular weight of 198.17 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 10742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).