2,5-dihydroxynaphthalene-1,6-dicarboxylic acid

C12H8O6 — CID 53421925

IUPAC2,5-dihydroxynaphthalene-1,6-dicarboxylic acid
SMILESO=C(O)c1ccc2c(C(=O)O)c(O)ccc2c1O
InChIInChI=1S/C12H8O6/c13-8-4-3-6-5(9(8)12(17)18)1-2-7(10(6)14)11(15)16/h1-4,13-14H,(H,15,16)(H,17,18)
InChIKeySTQCUBPDRIONGM-UHFFFAOYSA-N
MW248.19 g/mol
LogP1.65
Rot. Bonds2

About 2,5-dihydroxynaphthalene-1,6-dicarboxylic acid

2,5-dihydroxynaphthalene-1,6-dicarboxylic acid (PubChem CID 53421925) has the molecular formula C12H8O6 and a molecular weight of 248.19 g/mol. Its IUPAC name is 2,5-dihydroxynaphthalene-1,6-dicarboxylic acid.

Molecular Properties

Compound Name2,5-dihydroxynaphthalene-1,6-dicarboxylic acid
PubChem CID53421925
Molecular FormulaC12H8O6
Molecular Weight248.19 g/mol
Exact Mass248.03
IUPAC Name2,5-dihydroxynaphthalene-1,6-dicarboxylic acid
SMILESO=C(O)c1ccc2c(C(=O)O)c(O)ccc2c1O
InChIInChI=1S/C12H8O6/c13-8-4-3-6-5(9(8)12(17)18)1-2-7(10(6)14)11(15)16/h1-4,13-14H,(H,15,16)(H,17,18)
InChIKeySTQCUBPDRIONGM-UHFFFAOYSA-N
XLogP1.65
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxynaphthalene-1,6-dicarboxylic acid?
The IUPAC name of 2,5-dihydroxynaphthalene-1,6-dicarboxylic acid (CID 53421925) is 2,5-dihydroxynaphthalene-1,6-dicarboxylic acid.
What is the SMILES notation for 2,5-dihydroxynaphthalene-1,6-dicarboxylic acid?
The canonical SMILES for 2,5-dihydroxynaphthalene-1,6-dicarboxylic acid is O=C(O)c1ccc2c(C(=O)O)c(O)ccc2c1O.
What is the InChIKey of 2,5-dihydroxynaphthalene-1,6-dicarboxylic acid?
The InChIKey is STQCUBPDRIONGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O6/c13-8-4-3-6-5(9(8)12(17)18)1-2-7(10(6)14)11(15)16/h1-4,13-14H,(H,15,16)(H,17,18).
What are the key properties of 2,5-dihydroxynaphthalene-1,6-dicarboxylic acid?
2,5-dihydroxynaphthalene-1,6-dicarboxylic acid has a molecular weight of 248.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxynaphthalene-1,6-dicarboxylic acid is sourced from PubChem (CID 53421925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).