1-hydroxynaphthalene-2-carboxylic acid

C11H8O3 — CID 6844

IUPAC1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1O
InChIInChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)
InChIKeySJJCQDRGABAVBB-UHFFFAOYSA-N
MW188.18 g/mol
LogP2.24
Rot. Bonds1

About 1-hydroxynaphthalene-2-carboxylic acid

1-hydroxynaphthalene-2-carboxylic acid (PubChem CID 6844) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxynaphthalene-2-carboxylic acid
PubChem CID6844
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name1-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1O
InChIInChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)
InChIKeySJJCQDRGABAVBB-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 1-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 1-hydroxynaphthalene-2-carboxylic acid (CID 6844) is 1-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 1-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is SJJCQDRGABAVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14).
What are the key properties of 1-hydroxynaphthalene-2-carboxylic acid?
1-hydroxynaphthalene-2-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 1-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 6844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).