5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione

C12H10O6 — CID 17757

IUPAC5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione
SMILESCOC1=CC(=O)c2c(O)cc(OC)c(O)c2C1=O
InChIInChI=1S/C12H10O6/c1-17-7-3-5(13)9-6(14)4-8(18-2)12(16)10(9)11(7)15/h3-4,13,15H,1-2H3
InChIKeyOKTQTRCTZAALBF-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.02
Rot. Bonds2

About 5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione

5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione (PubChem CID 17757) has the molecular formula C12H10O6 and a molecular weight of 250.21 g/mol. Its IUPAC name is 5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione
PubChem CID17757
Molecular FormulaC12H10O6
Molecular Weight250.21 g/mol
Exact Mass250.05
IUPAC Name5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione
SMILESCOC1=CC(=O)c2c(O)cc(OC)c(O)c2C1=O
InChIInChI=1S/C12H10O6/c1-17-7-3-5(13)9-6(14)4-8(18-2)12(16)10(9)11(7)15/h3-4,13,15H,1-2H3
InChIKeyOKTQTRCTZAALBF-UHFFFAOYSA-N
XLogP1.02
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione?
The IUPAC name of 5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione (CID 17757) is 5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione.
What is the SMILES notation for 5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione?
The canonical SMILES for 5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione is COC1=CC(=O)c2c(O)cc(OC)c(O)c2C1=O.
What is the InChIKey of 5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione?
The InChIKey is OKTQTRCTZAALBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O6/c1-17-7-3-5(13)9-6(14)4-8(18-2)12(16)10(9)11(7)15/h3-4,13,15H,1-2H3.
What are the key properties of 5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione?
5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione has a molecular weight of 250.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione is sourced from PubChem (CID 17757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).