8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione

C17H12O4 — CID 42648414

IUPAC8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione
SMILESCc1ccc2c(c1)C(=O)c1cc3c(cc1C2=O)OCCO3
InChIInChI=1S/C17H12O4/c1-9-2-3-10-11(6-9)17(19)13-8-15-14(20-4-5-21-15)7-12(13)16(10)18/h2-3,6-8H,4-5H2,1H3
InChIKeyONICPGVJAJODNY-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.54
Rot. Bonds

About 8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione

8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione (PubChem CID 42648414) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione.

Molecular Properties

Compound Name8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione
PubChem CID42648414
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione
SMILESCc1ccc2c(c1)C(=O)c1cc3c(cc1C2=O)OCCO3
InChIInChI=1S/C17H12O4/c1-9-2-3-10-11(6-9)17(19)13-8-15-14(20-4-5-21-15)7-12(13)16(10)18/h2-3,6-8H,4-5H2,1H3
InChIKeyONICPGVJAJODNY-UHFFFAOYSA-N
XLogP2.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-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 8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione?
The IUPAC name of 8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione (CID 42648414) is 8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione.
What is the SMILES notation for 8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione?
The canonical SMILES for 8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione is Cc1ccc2c(c1)C(=O)c1cc3c(cc1C2=O)OCCO3.
What is the InChIKey of 8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione?
The InChIKey is ONICPGVJAJODNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c1-9-2-3-10-11(6-9)17(19)13-8-15-14(20-4-5-21-15)7-12(13)16(10)18/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione?
8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione has a molecular weight of 280.28 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3-dihydronaphtho[2,3-g][1,4]benzodioxine-6,11-dione is sourced from PubChem (CID 42648414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).