3,6-dihydroxy-2-methoxybenzoic acid

C8H8O5 — CID 15647609

IUPAC3,6-dihydroxy-2-methoxybenzoic acid
SMILESCOc1c(O)ccc(O)c1C(=O)O
InChIInChI=1S/C8H8O5/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3,9-10H,1H3,(H,11,12)
InChIKeyLEYBYZMFOFATIO-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.80
Rot. Bonds2

About 3,6-dihydroxy-2-methoxybenzoic acid

3,6-dihydroxy-2-methoxybenzoic acid (PubChem CID 15647609) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3,6-dihydroxy-2-methoxybenzoic acid.

Molecular Properties

Compound Name3,6-dihydroxy-2-methoxybenzoic acid
PubChem CID15647609
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name3,6-dihydroxy-2-methoxybenzoic acid
SMILESCOc1c(O)ccc(O)c1C(=O)O
InChIInChI=1S/C8H8O5/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3,9-10H,1H3,(H,11,12)
InChIKeyLEYBYZMFOFATIO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-hydroxy-2-methoxybenzoic acid
CID 117291132
2,4-dihydroxy-3-methoxybenzoic acid
CID 3021603
2,3,4,5,6-pentamethoxybenzoic acid
CID 623385
2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid
CID 10944306
3-hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one
CID 2755139
1-(3-fluoro-6-hydroxy-2-methoxyphenyl)ethanone
CID 14118953
1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117298441
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117304898
2,6-dihydroxybenzoic acid;hydrate
CID 169225453
3-iodo-2,6-dimethoxybenzoic acid
CID 13493770
3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one
CID 117331388

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroxy-2-methoxybenzoic acid?
The IUPAC name of 3,6-dihydroxy-2-methoxybenzoic acid (CID 15647609) is 3,6-dihydroxy-2-methoxybenzoic acid.
What is the SMILES notation for 3,6-dihydroxy-2-methoxybenzoic acid?
The canonical SMILES for 3,6-dihydroxy-2-methoxybenzoic acid is COc1c(O)ccc(O)c1C(=O)O.
What is the InChIKey of 3,6-dihydroxy-2-methoxybenzoic acid?
The InChIKey is LEYBYZMFOFATIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3,9-10H,1H3,(H,11,12).
What are the key properties of 3,6-dihydroxy-2-methoxybenzoic acid?
3,6-dihydroxy-2-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 3,6-dihydroxy-2-methoxybenzoic acid is sourced from PubChem (CID 15647609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).