1,4-dihydroxynaphthalene-2-carboxylic acid

C11H8O4 — CID 671

IUPAC1,4-dihydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
InChIKeyVOJUXHHACRXLTD-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.95
Rot. Bonds1

About 1,4-dihydroxynaphthalene-2-carboxylic acid

1,4-dihydroxynaphthalene-2-carboxylic acid (PubChem CID 671) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is 1,4-dihydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1,4-dihydroxynaphthalene-2-carboxylic acid
PubChem CID671
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name1,4-dihydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
InChIKeyVOJUXHHACRXLTD-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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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 1,4-dihydroxynaphthalene-2-carboxylic acid (CID 671) is 1,4-dihydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 1,4-dihydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 1,4-dihydroxynaphthalene-2-carboxylic acid is O=C(O)c1cc(O)c2ccccc2c1O.
What is the InChIKey of 1,4-dihydroxynaphthalene-2-carboxylic acid?
The InChIKey is VOJUXHHACRXLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15).
What are the key properties of 1,4-dihydroxynaphthalene-2-carboxylic acid?
1,4-dihydroxynaphthalene-2-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 1,4-dihydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).