5,8-dihydroxynaphthalene-1,4-dione

C10H6O4 — CID 10141

IUPAC5,8-dihydroxynaphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2c(O)ccc(O)c21
InChIInChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
InChIKeyRQNVIKXOOKXAJQ-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.03
Rot. Bonds

About 5,8-dihydroxynaphthalene-1,4-dione

5,8-dihydroxynaphthalene-1,4-dione (PubChem CID 10141) has the molecular formula C10H6O4 and a molecular weight of 190.15 g/mol. Its IUPAC name is 5,8-dihydroxynaphthalene-1,4-dione.

Molecular Properties

Compound Name5,8-dihydroxynaphthalene-1,4-dione
PubChem CID10141
Molecular FormulaC10H6O4
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Name5,8-dihydroxynaphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2c(O)ccc(O)c21
InChIInChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
InChIKeyRQNVIKXOOKXAJQ-UHFFFAOYSA-N
XLogP1.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,8-dihydroxynaphthalene-1,4-dione?
The IUPAC name of 5,8-dihydroxynaphthalene-1,4-dione (CID 10141) is 5,8-dihydroxynaphthalene-1,4-dione.
What is the SMILES notation for 5,8-dihydroxynaphthalene-1,4-dione?
The canonical SMILES for 5,8-dihydroxynaphthalene-1,4-dione is O=C1C=CC(=O)c2c(O)ccc(O)c21.
What is the InChIKey of 5,8-dihydroxynaphthalene-1,4-dione?
The InChIKey is RQNVIKXOOKXAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H.
What are the key properties of 5,8-dihydroxynaphthalene-1,4-dione?
5,8-dihydroxynaphthalene-1,4-dione has a molecular weight of 190.15 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydroxynaphthalene-1,4-dione is sourced from PubChem (CID 10141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).