2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate

C16H16O8 — CID 175706172

IUPAC2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate
SMILESCOC(=O)c1cc(O)ccc1O.Cc1cc(O)cc(C(=O)O)c1O
InChIInChI=1S/2C8H8O4/c1-4-2-5(9)3-6(7(4)10)8(11)12;1-12-8(11)6-4-5(9)2-3-7(6)10/h2-3,9-10H,1H3,(H,11,12);2-4,9-10H,1H3
InChIKeyVUCIXYUYLLSDBR-UHFFFAOYSA-N
MW336.30 g/mol
LogP1.99
Rot. Bonds2

About 2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate

2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate (PubChem CID 175706172) has the molecular formula C16H16O8 and a molecular weight of 336.30 g/mol. Its IUPAC name is 2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate.

Molecular Properties

Compound Name2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate
PubChem CID175706172
Molecular FormulaC16H16O8
Molecular Weight336.30 g/mol
Exact Mass336.08
IUPAC Name2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate
SMILESCOC(=O)c1cc(O)ccc1O.Cc1cc(O)cc(C(=O)O)c1O
InChIInChI=1S/2C8H8O4/c1-4-2-5(9)3-6(7(4)10)8(11)12;1-12-8(11)6-4-5(9)2-3-7(6)10/h2-3,9-10H,1H3,(H,11,12);2-4,9-10H,1H3
InChIKeyVUCIXYUYLLSDBR-UHFFFAOYSA-N
XLogP1.99
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 51.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate 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

2,5-dihydroxybenzoic acid;methanol
CID 174970806
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
2,5-dihydroxybenzoic acid;bis(methyl pyridine-3-carboxylate)
CID 139146294
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate
CID 21184995
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031
methyl 2-(bromomethyl)-5-hydroxybenzoate
CID 70312474
methyl 5-cyano-2-hydroxybenzoate
CID 10583428

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate?
The IUPAC name of 2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate (CID 175706172) is 2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate.
What is the SMILES notation for 2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate?
The canonical SMILES for 2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate is COC(=O)c1cc(O)ccc1O.Cc1cc(O)cc(C(=O)O)c1O.
What is the InChIKey of 2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate?
The InChIKey is VUCIXYUYLLSDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8O4/c1-4-2-5(9)3-6(7(4)10)8(11)12;1-12-8(11)6-4-5(9)2-3-7(6)10/h2-3,9-10H,1H3,(H,11,12);2-4,9-10H,1H3.
What are the key properties of 2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate?
2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate has a molecular weight of 336.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-3-methylbenzoic acid;methyl 2,5-dihydroxybenzoate is sourced from PubChem (CID 175706172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).