2,6-dihydroxynaphthalene-1-carboxylic acid

C11H8O4 — CID 10149075

IUPAC2,6-dihydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(O)ccc2cc(O)ccc12
InChIInChI=1S/C11H8O4/c12-7-2-3-8-6(5-7)1-4-9(13)10(8)11(14)15/h1-5,12-13H,(H,14,15)
InChIKeyDWCSXSQEGHQXEF-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.95
Rot. Bonds1

About 2,6-dihydroxynaphthalene-1-carboxylic acid

2,6-dihydroxynaphthalene-1-carboxylic acid (PubChem CID 10149075) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2,6-dihydroxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2,6-dihydroxynaphthalene-1-carboxylic acid
PubChem CID10149075
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name2,6-dihydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(O)ccc2cc(O)ccc12
InChIInChI=1S/C11H8O4/c12-7-2-3-8-6(5-7)1-4-9(13)10(8)11(14)15/h1-5,12-13H,(H,14,15)
InChIKeyDWCSXSQEGHQXEF-UHFFFAOYSA-N
XLogP1.95
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride
CID 68837450
phenyl 2,6-dihydroxynaphthalene-1-carboxylate
CID 167313842
6-acetyloxy-2-hydroxynaphthalene-1-carboxylic acid
CID 70465846
3,7-dihydroxynaphthalene-1-carboxylic acid
CID 23130130
(2,6-dihydroxynaphthalen-1-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 23104900
1-amino-6-hydroxynaphthalene-2-carboxylic acid
CID 115022788
7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid
CID 19606931
2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid
CID 57045000
2-hydroxynaphthalene-1-carboxylic acid;naphthalene-1-sulfonic acid
CID 175565769
3,7-dihydroxynaphthalene-2-carboxylic acid
CID 158168218
2,5-dihydroxynaphthalene-1,6-dicarboxylic acid
CID 53421925
dimethyl 3,7-dihydroxynaphthalene-1,2-dicarboxylate
CID 145325415

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxynaphthalene-1-carboxylic acid?
The IUPAC name of 2,6-dihydroxynaphthalene-1-carboxylic acid (CID 10149075) is 2,6-dihydroxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 2,6-dihydroxynaphthalene-1-carboxylic acid?
The canonical SMILES for 2,6-dihydroxynaphthalene-1-carboxylic acid is O=C(O)c1c(O)ccc2cc(O)ccc12.
What is the InChIKey of 2,6-dihydroxynaphthalene-1-carboxylic acid?
The InChIKey is DWCSXSQEGHQXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c12-7-2-3-8-6(5-7)1-4-9(13)10(8)11(14)15/h1-5,12-13H,(H,14,15).
What are the key properties of 2,6-dihydroxynaphthalene-1-carboxylic acid?
2,6-dihydroxynaphthalene-1-carboxylic acid has a molecular weight of 204.18 g/mol, XLogP of 1.95, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 10149075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).