3-hydroxy-2,4-dimethoxybenzoic acid

C9H10O5 — CID 20533708

IUPAC3-hydroxy-2,4-dimethoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OC)c1O
InChIInChI=1S/C9H10O5/c1-13-6-4-3-5(9(11)12)8(14-2)7(6)10/h3-4,10H,1-2H3,(H,11,12)
InChIKeyHEAPXXAMKQWXSS-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.11
Rot. Bonds3

About 3-hydroxy-2,4-dimethoxybenzoic acid

3-hydroxy-2,4-dimethoxybenzoic acid (PubChem CID 20533708) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is 3-hydroxy-2,4-dimethoxybenzoic acid.

Molecular Properties

Compound Name3-hydroxy-2,4-dimethoxybenzoic acid
PubChem CID20533708
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name3-hydroxy-2,4-dimethoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OC)c1O
InChIInChI=1S/C9H10O5/c1-13-6-4-3-5(9(11)12)8(14-2)7(6)10/h3-4,10H,1-2H3,(H,11,12)
InChIKeyHEAPXXAMKQWXSS-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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Related Compounds

2-hydroxy-3-methoxyterephthalic acid
CID 150906363
(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
CID 56666166
3-ethoxy-2,4-dimethoxybenzoic acid
CID 171009382
3-hydroxy-4-methoxy-2-nitrobenzoic acid
CID 12954168
2,4-dihydroxy-3-methoxybenzoic acid
CID 3021603
3-hydroxy-2-methoxy-4-nitrobenzoic acid
CID 58316178
2-amino-3-methoxyterephthalic acid
CID 132516468
2-chloro-3-methoxyterephthalic acid
CID 126601706
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
3-bromo-4-methoxy-2-propan-2-yloxybenzoic acid
CID 14276515

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4-dimethoxybenzoic acid?
The IUPAC name of 3-hydroxy-2,4-dimethoxybenzoic acid (CID 20533708) is 3-hydroxy-2,4-dimethoxybenzoic acid.
What is the SMILES notation for 3-hydroxy-2,4-dimethoxybenzoic acid?
The canonical SMILES for 3-hydroxy-2,4-dimethoxybenzoic acid is COc1ccc(C(=O)O)c(OC)c1O.
What is the InChIKey of 3-hydroxy-2,4-dimethoxybenzoic acid?
The InChIKey is HEAPXXAMKQWXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-13-6-4-3-5(9(11)12)8(14-2)7(6)10/h3-4,10H,1-2H3,(H,11,12).
What are the key properties of 3-hydroxy-2,4-dimethoxybenzoic acid?
3-hydroxy-2,4-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 3-hydroxy-2,4-dimethoxybenzoic acid is sourced from PubChem (CID 20533708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).