5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid

C10H10O5 — CID 19963527

IUPAC5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid
SMILESCc1c(O)cc(C(=O)O)c(C)c1C(=O)O
InChIInChI=1S/C10H10O5/c1-4-6(9(12)13)3-7(11)5(2)8(4)10(14)15/h3,11H,1-2H3,(H,12,13)(H,14,15)
InChIKeyWWOLQQYWRBCBGQ-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.41
Rot. Bonds2

About 5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid

5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid (PubChem CID 19963527) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid
PubChem CID19963527
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid
SMILESCc1c(O)cc(C(=O)O)c(C)c1C(=O)O
InChIInChI=1S/C10H10O5/c1-4-6(9(12)13)3-7(11)5(2)8(4)10(14)15/h3,11H,1-2H3,(H,12,13)(H,14,15)
InChIKeyWWOLQQYWRBCBGQ-UHFFFAOYSA-N
XLogP1.41
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid 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

5-hydroxy-3,4-dimethylphthalic acid
CID 87631435
ethane;3-hydroxy-2,5-dimethylbenzoic acid
CID 142823767
4,6-dihydroxy-2,3-dimethylbenzoic acid
CID 71365885
3-hydroxy-2,5-dimethylterephthalic acid
CID 169085386
2,7-dihydroxynaphthalene-1,4,5,8-tetracarboxylic acid
CID 139950866
4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid
CID 59736343
3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107
3,4-dihydroxy-2-methylbenzoic acid
CID 10442073
4,5-diacetamido-2-methylbenzene-1,3-dicarboxylic acid
CID 150581493
5-(dimethylphosphorylmethoxy)-2,4-dimethylbenzene-1,3-dicarboxylic acid
CID 122512542
3,4-diamino-5-hydroxyphthalic acid
CID 155288891
5-bromo-4-(difluoromethyl)-2-methylbenzene-1,3-dicarboxylic acid
CID 152632983

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid (CID 19963527) is 5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid is Cc1c(O)cc(C(=O)O)c(C)c1C(=O)O.
What is the InChIKey of 5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid?
The InChIKey is WWOLQQYWRBCBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-4-6(9(12)13)3-7(11)5(2)8(4)10(14)15/h3,11H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid?
5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid has a molecular weight of 210.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,4-dimethylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 19963527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).