5,7-dihydroxy-2-methoxynaphthalene-1,4-dione

C11H8O5 — CID 71713819

IUPAC5,7-dihydroxy-2-methoxynaphthalene-1,4-dione
SMILESCOC1=CC(=O)c2c(O)cc(O)cc2C1=O
InChIInChI=1S/C11H8O5/c1-16-9-4-8(14)10-6(11(9)15)2-5(12)3-7(10)13/h2-4,12-13H,1H3
InChIKeyRAFCFIBVJBDWPW-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.01
Rot. Bonds1

About 5,7-dihydroxy-2-methoxynaphthalene-1,4-dione

5,7-dihydroxy-2-methoxynaphthalene-1,4-dione (PubChem CID 71713819) has the molecular formula C11H8O5 and a molecular weight of 220.18 g/mol. Its IUPAC name is 5,7-dihydroxy-2-methoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name5,7-dihydroxy-2-methoxynaphthalene-1,4-dione
PubChem CID71713819
Molecular FormulaC11H8O5
Molecular Weight220.18 g/mol
Exact Mass220.04
IUPAC Name5,7-dihydroxy-2-methoxynaphthalene-1,4-dione
SMILESCOC1=CC(=O)c2c(O)cc(O)cc2C1=O
InChIInChI=1S/C11H8O5/c1-16-9-4-8(14)10-6(11(9)15)2-5(12)3-7(10)13/h2-4,12-13H,1H3
InChIKeyRAFCFIBVJBDWPW-UHFFFAOYSA-N
XLogP1.01
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione
CID 146684220
6-ethyl-5-hydroxy-2,7-dimethoxynaphthalene-1,4-dione
CID 15061180
5,7-dichloro-2-methoxynaphthalene-1,4-dione
CID 15029633
5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione
CID 625049
8-hydroxy-7-(4-hydroxy-7-methoxy-2-methyl-5,8-dioxonaphthalen-1-yl)-2-methoxy-6-methylnaphthalene-1,4-dione
CID 14237026
8-hydroxy-2-methoxynaphthalene-1,4-dione
CID 609303
2-(3,4-dihydroxyphenyl)-5,7-dihydroxynaphthalene-1,4-dione
CID 44575201
1,3-dihydroxy-6-methoxy-7-methylanthracene-9,10-dione
CID 162876842
5,7-dihydroxynaphthalene-1,4-dione
CID 605368
5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione
CID 23251767
5,7-dihydroxy-3-methoxy-2-phenylnaphthalene-1,4-dione
CID 163003257
7-hydroxy-3,8-dimethoxyphenanthrene-1,4-dione
CID 23251770

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-methoxynaphthalene-1,4-dione?
The IUPAC name of 5,7-dihydroxy-2-methoxynaphthalene-1,4-dione (CID 71713819) is 5,7-dihydroxy-2-methoxynaphthalene-1,4-dione.
What is the SMILES notation for 5,7-dihydroxy-2-methoxynaphthalene-1,4-dione?
The canonical SMILES for 5,7-dihydroxy-2-methoxynaphthalene-1,4-dione is COC1=CC(=O)c2c(O)cc(O)cc2C1=O.
What is the InChIKey of 5,7-dihydroxy-2-methoxynaphthalene-1,4-dione?
The InChIKey is RAFCFIBVJBDWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O5/c1-16-9-4-8(14)10-6(11(9)15)2-5(12)3-7(10)13/h2-4,12-13H,1H3.
What are the key properties of 5,7-dihydroxy-2-methoxynaphthalene-1,4-dione?
5,7-dihydroxy-2-methoxynaphthalene-1,4-dione has a molecular weight of 220.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-methoxynaphthalene-1,4-dione is sourced from PubChem (CID 71713819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).