6-hydroxynaphthalene-1-carboxylic acid

C11H8O3 — CID 5463800

IUPAC6-hydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cc(O)ccc12
InChIInChI=1S/C11H8O3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6,12H,(H,13,14)
InChIKeyJCJUKCIXTRWAQY-UHFFFAOYSA-N
MW188.18 g/mol
LogP2.24
Rot. Bonds1

About 6-hydroxynaphthalene-1-carboxylic acid

6-hydroxynaphthalene-1-carboxylic acid (PubChem CID 5463800) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 6-hydroxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name6-hydroxynaphthalene-1-carboxylic acid
PubChem CID5463800
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name6-hydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cc(O)ccc12
InChIInChI=1S/C11H8O3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6,12H,(H,13,14)
InChIKeyJCJUKCIXTRWAQY-UHFFFAOYSA-N
XLogP2.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxynaphthalene-1-carboxylic acid?
The IUPAC name of 6-hydroxynaphthalene-1-carboxylic acid (CID 5463800) is 6-hydroxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 6-hydroxynaphthalene-1-carboxylic acid?
The canonical SMILES for 6-hydroxynaphthalene-1-carboxylic acid is O=C(O)c1cccc2cc(O)ccc12.
What is the InChIKey of 6-hydroxynaphthalene-1-carboxylic acid?
The InChIKey is JCJUKCIXTRWAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6,12H,(H,13,14).
What are the key properties of 6-hydroxynaphthalene-1-carboxylic acid?
6-hydroxynaphthalene-1-carboxylic acid has a molecular weight of 188.18 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 5463800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).