4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid

C14H12O6 — CID 59736343

IUPAC4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid
SMILESCc1c(C(=O)O)cc2c(C)c(C(=O)O)cc(O)c2c1O
InChIInChI=1S/C14H12O6/c1-5-7-3-8(13(17)18)6(2)12(16)11(7)10(15)4-9(5)14(19)20/h3-4,15-16H,1-2H3,(H,17,18)(H,19,20)
InChIKeyHSXZOKQOHHIUIB-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.26
Rot. Bonds2

About 4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid

4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid (PubChem CID 59736343) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is 4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid.

Molecular Properties

Compound Name4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid
PubChem CID59736343
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid
SMILESCc1c(C(=O)O)cc2c(C)c(C(=O)O)cc(O)c2c1O
InChIInChI=1S/C14H12O6/c1-5-7-3-8(13(17)18)6(2)12(16)11(7)10(15)4-9(5)14(19)20/h3-4,15-16H,1-2H3,(H,17,18)(H,19,20)
InChIKeyHSXZOKQOHHIUIB-UHFFFAOYSA-N
XLogP2.26
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-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

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid?
The IUPAC name of 4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid (CID 59736343) is 4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid.
What is the SMILES notation for 4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid?
The canonical SMILES for 4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid is Cc1c(C(=O)O)cc2c(C)c(C(=O)O)cc(O)c2c1O.
What is the InChIKey of 4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid?
The InChIKey is HSXZOKQOHHIUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6/c1-5-7-3-8(13(17)18)6(2)12(16)11(7)10(15)4-9(5)14(19)20/h3-4,15-16H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid?
4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid has a molecular weight of 276.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1,6-dimethylnaphthalene-2,7-dicarboxylic acid is sourced from PubChem (CID 59736343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).