4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione

C20H12O6 — CID 160751652

IUPAC4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione
SMILESO=C1C=C(O)c2ccccc2C1=O.O=C1C=Cc2c(O)cccc2C1=O
InChIInChI=1S/2C10H6O3/c11-8-3-1-2-7-6(8)4-5-9(12)10(7)13;11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h2*1-5,11H
InChIKeyRWXCDXYGGPWXND-UHFFFAOYSA-N
MW348.31 g/mol
LogP2.52
Rot. Bonds

About 4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione

4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione (PubChem CID 160751652) has the molecular formula C20H12O6 and a molecular weight of 348.31 g/mol. Its IUPAC name is 4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione.

Molecular Properties

Compound Name4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione
PubChem CID160751652
Molecular FormulaC20H12O6
Molecular Weight348.31 g/mol
Exact Mass348.06
IUPAC Name4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione
SMILESO=C1C=C(O)c2ccccc2C1=O.O=C1C=Cc2c(O)cccc2C1=O
InChIInChI=1S/2C10H6O3/c11-8-3-1-2-7-6(8)4-5-9(12)10(7)13;11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h2*1-5,11H
InChIKeyRWXCDXYGGPWXND-UHFFFAOYSA-N
XLogP2.52
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

9-hydroxyphenanthrene-1,2-dione
CID 156698876
4,5-dihydroxyanthracene-1,2-dione
CID 18977667
CID 171415141
CID 171415141
4,6-dimethyl-1H-pyrimidin-2-one;4-hydroxynaphthalene-1,2-dione;sulfite
CID 56967750
phenanthrene-1,2-dione;hydrate
CID 175517236
4-hydroxy-1-[(2-methylpropan-2-yl)oxyimino]naphthalen-2-one
CID 87594852
2,3-dihydroxyanthracene-9,10-dione
CID 11031986
3,4-dioxonaphthalene-1-sulfonate;rubidium(1+)
CID 139842307
sodium 3,4-dioxonaphthalen-1-olate
CID 23703978
1-hydroxyphenanthrene-3,4-dione
CID 14905308
anthracene-9,10-dione;benzene-1,4-diol
CID 70474233
5-hydroxynaphthalene-1,4-dione;propan-2-ol
CID 174921085

Frequently Asked Questions

What is the IUPAC name of 4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione?
The IUPAC name of 4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione (CID 160751652) is 4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione.
What is the SMILES notation for 4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione?
The canonical SMILES for 4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione is O=C1C=C(O)c2ccccc2C1=O.O=C1C=Cc2c(O)cccc2C1=O.
What is the InChIKey of 4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione?
The InChIKey is RWXCDXYGGPWXND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H6O3/c11-8-3-1-2-7-6(8)4-5-9(12)10(7)13;11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h2*1-5,11H.
What are the key properties of 4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione?
4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione has a molecular weight of 348.31 g/mol, XLogP of 2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxynaphthalene-1,2-dione;5-hydroxynaphthalene-1,2-dione is sourced from PubChem (CID 160751652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).