3,7-dihydroxynaphthalene-1-carboxylic acid

C11H8O4 — CID 23130130

IUPAC3,7-dihydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cc(O)cc2ccc(O)cc12
InChIInChI=1S/C11H8O4/c12-7-2-1-6-3-8(13)5-10(11(14)15)9(6)4-7/h1-5,12-13H,(H,14,15)
InChIKeyYWQIVUUGLJFRHG-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.95
Rot. Bonds1

About 3,7-dihydroxynaphthalene-1-carboxylic acid

3,7-dihydroxynaphthalene-1-carboxylic acid (PubChem CID 23130130) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is 3,7-dihydroxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name3,7-dihydroxynaphthalene-1-carboxylic acid
PubChem CID23130130
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name3,7-dihydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cc(O)cc2ccc(O)cc12
InChIInChI=1S/C11H8O4/c12-7-2-1-6-3-8(13)5-10(11(14)15)9(6)4-7/h1-5,12-13H,(H,14,15)
InChIKeyYWQIVUUGLJFRHG-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

1-amino-6-hydroxynaphthalene-2-carboxylic acid
CID 115022788
1-fluoro-7-hydroxynaphthalene-2-carboxylic acid
CID 115024408
3,7-dihydroxynaphthalene-2-carboxylic acid
CID 158168218
4-hydroxyphthalic acid;hydrate
CID 171991193
2,6-dihydroxynaphthalene-1-carboxylic acid
CID 10149075
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
2,5-dihydroxybenzoic acid;methanol
CID 174970806
5-hydroxy-2-sulfanylbenzoic acid
CID 22056787
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
2,4-dihydroxybenzoic acid
CID 1491
7-bromo-3-hydroxynaphthalene-1-carbonyl chloride
CID 24971985
azanium 2-carboxy-4-hydroxyphenolate
CID 54715378

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroxynaphthalene-1-carboxylic acid?
The IUPAC name of 3,7-dihydroxynaphthalene-1-carboxylic acid (CID 23130130) is 3,7-dihydroxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 3,7-dihydroxynaphthalene-1-carboxylic acid?
The canonical SMILES for 3,7-dihydroxynaphthalene-1-carboxylic acid is O=C(O)c1cc(O)cc2ccc(O)cc12.
What is the InChIKey of 3,7-dihydroxynaphthalene-1-carboxylic acid?
The InChIKey is YWQIVUUGLJFRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c12-7-2-1-6-3-8(13)5-10(11(14)15)9(6)4-7/h1-5,12-13H,(H,14,15).
What are the key properties of 3,7-dihydroxynaphthalene-1-carboxylic acid?
3,7-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 3,7-dihydroxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 23130130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).