2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione

C16H10O4 — CID 10730441

IUPAC2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc1c2OCCO1
InChIInChI=1S/C16H10O4/c17-14-9-3-1-2-4-10(9)15(18)13-11(14)5-6-12-16(13)20-8-7-19-12/h1-6H,7-8H2
InChIKeyJPNRAFKCDBJGRS-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.23
Rot. Bonds

About 2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione

2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione (PubChem CID 10730441) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione.

Molecular Properties

Compound Name2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione
PubChem CID10730441
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Name2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc1c2OCCO1
InChIInChI=1S/C16H10O4/c17-14-9-3-1-2-4-10(9)15(18)13-11(14)5-6-12-16(13)20-8-7-19-12/h1-6H,7-8H2
InChIKeyJPNRAFKCDBJGRS-UHFFFAOYSA-N
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione?
The IUPAC name of 2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione (CID 10730441) is 2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione.
What is the SMILES notation for 2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione?
The canonical SMILES for 2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione is O=C1c2ccccc2C(=O)c2c1ccc1c2OCCO1.
What is the InChIKey of 2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione?
The InChIKey is JPNRAFKCDBJGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c17-14-9-3-1-2-4-10(9)15(18)13-11(14)5-6-12-16(13)20-8-7-19-12/h1-6H,7-8H2.
What are the key properties of 2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione?
2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione has a molecular weight of 266.25 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydronaphtho[2,3-h][1,4]benzodioxine-7,12-dione is sourced from PubChem (CID 10730441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).