5,7-dihydroxynaphthalene-1,4-dione

C10H6O4 — CID 605368

IUPAC5,7-dihydroxynaphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2c(O)cc(O)cc21
InChIInChI=1S/C10H6O4/c11-5-3-6-7(12)1-2-8(13)10(6)9(14)4-5/h1-4,11,14H
InChIKeyXHFDIOZBTSOOJP-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.03
Rot. Bonds

About 5,7-dihydroxynaphthalene-1,4-dione

5,7-dihydroxynaphthalene-1,4-dione (PubChem CID 605368) has the molecular formula C10H6O4 and a molecular weight of 190.15 g/mol. Its IUPAC name is 5,7-dihydroxynaphthalene-1,4-dione.

Molecular Properties

Compound Name5,7-dihydroxynaphthalene-1,4-dione
PubChem CID605368
Molecular FormulaC10H6O4
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Name5,7-dihydroxynaphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2c(O)cc(O)cc21
InChIInChI=1S/C10H6O4/c11-5-3-6-7(12)1-2-8(13)10(6)9(14)4-5/h1-4,11,14H
InChIKeyXHFDIOZBTSOOJP-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'}

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Related Compounds

4,6-dihydroxy-2-benzofuran-1,3-dione
CID 102318969
5-hydroxynaphthalene-1,4-dione;molecular fluorine
CID 158904542
5,7-dihydroxy-2-methoxynaphthalene-1,4-dione
CID 71713819
1,3,5-trihydroxyanthracene-9,10-dione
CID 11265324
2-(3,4-dihydroxyphenyl)-5,7-dihydroxynaphthalene-1,4-dione
CID 44575201
5-hydroxynaphthalene-1,4-dione;propan-2-ol
CID 174921085
9-hydroxy-5,8-dimethoxyphenanthrene-1,4-dione
CID 23251757
5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde
CID 143619617
6-acetyl-5,8-dihydroxynaphthalene-1,4-dione
CID 135475554
1,4,6,8-tetrahydroxy-2-(hydroxymethyl)anthracene-9,10-dione
CID 162965748
CID 102007434
CID 102007434
3-[(1R,2S)-1,2-dihydroxypropyl]-1,6,8-trihydroxyanthracene-9,10-dione
CID 38357224

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxynaphthalene-1,4-dione?
The IUPAC name of 5,7-dihydroxynaphthalene-1,4-dione (CID 605368) is 5,7-dihydroxynaphthalene-1,4-dione.
What is the SMILES notation for 5,7-dihydroxynaphthalene-1,4-dione?
The canonical SMILES for 5,7-dihydroxynaphthalene-1,4-dione is O=C1C=CC(=O)c2c(O)cc(O)cc21.
What is the InChIKey of 5,7-dihydroxynaphthalene-1,4-dione?
The InChIKey is XHFDIOZBTSOOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4/c11-5-3-6-7(12)1-2-8(13)10(6)9(14)4-5/h1-4,11,14H.
What are the key properties of 5,7-dihydroxynaphthalene-1,4-dione?
5,7-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 5,7-dihydroxynaphthalene-1,4-dione is sourced from PubChem (CID 605368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).