5,8-dihydroxynaphthalene-1-carboxylic acid

C11H8O4 — CID 68625233

IUPAC5,8-dihydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(O)ccc(O)c12
InChIInChI=1S/C11H8O4/c12-8-4-5-9(13)10-6(8)2-1-3-7(10)11(14)15/h1-5,12-13H,(H,14,15)
InChIKeyXASMHDSDTVOURC-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.95
Rot. Bonds1

About 5,8-dihydroxynaphthalene-1-carboxylic acid

5,8-dihydroxynaphthalene-1-carboxylic acid (PubChem CID 68625233) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is 5,8-dihydroxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5,8-dihydroxynaphthalene-1-carboxylic acid
PubChem CID68625233
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name5,8-dihydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(O)ccc(O)c12
InChIInChI=1S/C11H8O4/c12-8-4-5-9(13)10-6(8)2-1-3-7(10)11(14)15/h1-5,12-13H,(H,14,15)
InChIKeyXASMHDSDTVOURC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

8-chloro-5-hydroxynaphthalene-1-carboxylic acid
CID 139711349
8-fluoro-4-hydroxynaphthalene-1-carboxylic acid
CID 115024417
5,6,7,8-tetrahydroxynaphthalene-1-carboxylic acid
CID 176912348
4,5,8-trihydroxynaphthalene-1-carboxylic acid
CID 139775362
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxynaphthalene-1,8-dicarboxylic acid
CID 19938987
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
naphthalene-1,2,4,8-tetracarboxylic acid
CID 21270256
benzene-1,2-diol;phthalic acid
CID 160861167
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
8-hydroxy-1-oxoisochromene-4-carboxylic acid
CID 5375809

Frequently Asked Questions

What is the IUPAC name of 5,8-dihydroxynaphthalene-1-carboxylic acid?
The IUPAC name of 5,8-dihydroxynaphthalene-1-carboxylic acid (CID 68625233) is 5,8-dihydroxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 5,8-dihydroxynaphthalene-1-carboxylic acid?
The canonical SMILES for 5,8-dihydroxynaphthalene-1-carboxylic acid is O=C(O)c1cccc2c(O)ccc(O)c12.
What is the InChIKey of 5,8-dihydroxynaphthalene-1-carboxylic acid?
The InChIKey is XASMHDSDTVOURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c12-8-4-5-9(13)10-6(8)2-1-3-7(10)11(14)15/h1-5,12-13H,(H,14,15).
What are the key properties of 5,8-dihydroxynaphthalene-1-carboxylic acid?
5,8-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 5,8-dihydroxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 68625233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).