2-methoxynaphthalene-1,4-dione

C11H8O3 — CID 16871

IUPAC2-methoxynaphthalene-1,4-dione
SMILESCOC1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3
InChIKeyOBGBGHKYJAOXRR-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.60
Rot. Bonds1

About 2-methoxynaphthalene-1,4-dione

2-methoxynaphthalene-1,4-dione (PubChem CID 16871) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-methoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name2-methoxynaphthalene-1,4-dione
PubChem CID16871
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name2-methoxynaphthalene-1,4-dione
SMILESCOC1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3
InChIKeyOBGBGHKYJAOXRR-UHFFFAOYSA-N
XLogP1.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxynaphthalene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxynaphthalene-1,4-dione?
The IUPAC name of 2-methoxynaphthalene-1,4-dione (CID 16871) is 2-methoxynaphthalene-1,4-dione.
What is the SMILES notation for 2-methoxynaphthalene-1,4-dione?
The canonical SMILES for 2-methoxynaphthalene-1,4-dione is COC1=CC(=O)c2ccccc2C1=O.
What is the InChIKey of 2-methoxynaphthalene-1,4-dione?
The InChIKey is OBGBGHKYJAOXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3.
What are the key properties of 2-methoxynaphthalene-1,4-dione?
2-methoxynaphthalene-1,4-dione has a molecular weight of 188.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxynaphthalene-1,4-dione is sourced from PubChem (CID 16871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).