2,4-dihydroxy-3-methoxybenzoic acid

C8H8O5 — CID 3021603

IUPAC2,4-dihydroxy-3-methoxybenzoic acid
SMILESCOc1c(O)ccc(C(=O)O)c1O
InChIInChI=1S/C8H8O5/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3,9-10H,1H3,(H,11,12)
InChIKeyUWZZZMBHPRRQAB-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.80
Rot. Bonds2

About 2,4-dihydroxy-3-methoxybenzoic acid

2,4-dihydroxy-3-methoxybenzoic acid (PubChem CID 3021603) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2,4-dihydroxy-3-methoxybenzoic acid.

Molecular Properties

Compound Name2,4-dihydroxy-3-methoxybenzoic acid
PubChem CID3021603
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2,4-dihydroxy-3-methoxybenzoic acid
SMILESCOc1c(O)ccc(C(=O)O)c1O
InChIInChI=1S/C8H8O5/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3,9-10H,1H3,(H,11,12)
InChIKeyUWZZZMBHPRRQAB-UHFFFAOYSA-N
XLogP0.80
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-methoxyterephthalic acid
CID 150906363
2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid
CID 170123205
3,6-dihydroxy-2-methoxybenzoic acid
CID 15647609
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
1-(2,4-dihydroxy-3-methoxyphenyl)-3-phenylpropan-1-one
CID 86236273
2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117304898
2-amino-3-methoxyterephthalic acid
CID 132516468
2-chloro-3-methoxyterephthalic acid
CID 126601706
6-chloro-3-hydroxy-2-methoxybenzoic acid
CID 117291132
CID 67856266
CID 67856266
3-hydroxy-2-methoxy-4-nitrobenzoic acid
CID 58316178
3-bromo-2,4-dihydroxybenzoic acid
CID 90007527

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-3-methoxybenzoic acid?
The IUPAC name of 2,4-dihydroxy-3-methoxybenzoic acid (CID 3021603) is 2,4-dihydroxy-3-methoxybenzoic acid.
What is the SMILES notation for 2,4-dihydroxy-3-methoxybenzoic acid?
The canonical SMILES for 2,4-dihydroxy-3-methoxybenzoic acid is COc1c(O)ccc(C(=O)O)c1O.
What is the InChIKey of 2,4-dihydroxy-3-methoxybenzoic acid?
The InChIKey is UWZZZMBHPRRQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3,9-10H,1H3,(H,11,12).
What are the key properties of 2,4-dihydroxy-3-methoxybenzoic acid?
2,4-dihydroxy-3-methoxybenzoic acid has a molecular weight of 184.15 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-3-methoxybenzoic acid is sourced from PubChem (CID 3021603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).