2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione

C15H16O3 — CID 143788338

IUPAC2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione
SMILESCC1C2=C(OC1(C)C)C1=CCCC=C1C(=O)C2=O
InChIInChI=1S/C15H16O3/c1-8-11-13(17)12(16)9-6-4-5-7-10(9)14(11)18-15(8,2)3/h6-8H,4-5H2,1-3H3
InChIKeyFNBKMGLCSQIMLE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.48
Rot. Bonds

About 2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione

2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione (PubChem CID 143788338) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione.

Molecular Properties

Compound Name2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione
PubChem CID143788338
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione
SMILESCC1C2=C(OC1(C)C)C1=CCCC=C1C(=O)C2=O
InChIInChI=1S/C15H16O3/c1-8-11-13(17)12(16)9-6-4-5-7-10(9)14(11)18-15(8,2)3/h6-8H,4-5H2,1-3H3
InChIKeyFNBKMGLCSQIMLE-UHFFFAOYSA-N
XLogP2.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione?
The IUPAC name of 2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione (CID 143788338) is 2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione.
What is the SMILES notation for 2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione?
The canonical SMILES for 2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione is CC1C2=C(OC1(C)C)C1=CCCC=C1C(=O)C2=O.
What is the InChIKey of 2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione?
The InChIKey is FNBKMGLCSQIMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-11-13(17)12(16)9-6-4-5-7-10(9)14(11)18-15(8,2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione?
2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione has a molecular weight of 244.29 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-7,8-dihydro-3H-benzo[g][1]benzofuran-4,5-dione is sourced from PubChem (CID 143788338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).