8-hydroxy-2-methoxynaphthalene-1,4-dione

C11H8O4 — CID 609303

IUPAC8-hydroxy-2-methoxynaphthalene-1,4-dione
SMILESCOC1=CC(=O)c2cccc(O)c2C1=O
InChIInChI=1S/C11H8O4/c1-15-9-5-8(13)6-3-2-4-7(12)10(6)11(9)14/h2-5,12H,1H3
InChIKeyHOFSOQDUZIZMBA-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.30
Rot. Bonds1

About 8-hydroxy-2-methoxynaphthalene-1,4-dione

8-hydroxy-2-methoxynaphthalene-1,4-dione (PubChem CID 609303) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is 8-hydroxy-2-methoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name8-hydroxy-2-methoxynaphthalene-1,4-dione
PubChem CID609303
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name8-hydroxy-2-methoxynaphthalene-1,4-dione
SMILESCOC1=CC(=O)c2cccc(O)c2C1=O
InChIInChI=1S/C11H8O4/c1-15-9-5-8(13)6-3-2-4-7(12)10(6)11(9)14/h2-5,12H,1H3
InChIKeyHOFSOQDUZIZMBA-UHFFFAOYSA-N
XLogP1.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione
CID 46885663
7-hydroxy-3,8-dimethoxyphenanthrene-1,4-dione
CID 23251770
2-tert-butyl-8-hydroxynaphthalene-1,4-dione
CID 14866885
8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione
CID 11132493
2,7,8-trimethoxynaphthalene-1,4-dione
CID 71387360
5,7-dihydroxy-2-methoxynaphthalene-1,4-dione
CID 71713819
5-hydroxy-2-propoxynaphthalene-1,4-dione
CID 162848095
8-hydroxy-7-(4-hydroxy-7-methoxy-2-methyl-5,8-dioxonaphthalen-1-yl)-2-methoxy-6-methylnaphthalene-1,4-dione
CID 14237026
6,7-dihydroxy-2-methoxy-5-methylnaphthalene-1,4-dione
CID 146684220
4,5-dihydroxy-3-(8-hydroxy-1,4-dioxonaphthalen-2-yl)naphthalene-1,2-dione
CID 632371
2-anilino-8-hydroxynaphthalene-1,4-dione
CID 73355164
1-hydroxy-7-methoxyanthracene-9,10-dione
CID 10515079

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-methoxynaphthalene-1,4-dione?
The IUPAC name of 8-hydroxy-2-methoxynaphthalene-1,4-dione (CID 609303) is 8-hydroxy-2-methoxynaphthalene-1,4-dione.
What is the SMILES notation for 8-hydroxy-2-methoxynaphthalene-1,4-dione?
The canonical SMILES for 8-hydroxy-2-methoxynaphthalene-1,4-dione is COC1=CC(=O)c2cccc(O)c2C1=O.
What is the InChIKey of 8-hydroxy-2-methoxynaphthalene-1,4-dione?
The InChIKey is HOFSOQDUZIZMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c1-15-9-5-8(13)6-3-2-4-7(12)10(6)11(9)14/h2-5,12H,1H3.
What are the key properties of 8-hydroxy-2-methoxynaphthalene-1,4-dione?
8-hydroxy-2-methoxynaphthalene-1,4-dione has a molecular weight of 204.18 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-methoxynaphthalene-1,4-dione is sourced from PubChem (CID 609303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).