2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione

C19H14O3 — CID 15743025

IUPAC2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione
SMILESCC1(c2ccccc2)CC2=C(O1)c1ccccc1C(=O)C2=O
InChIInChI=1S/C19H14O3/c1-19(12-7-3-2-4-8-12)11-15-17(21)16(20)13-9-5-6-10-14(13)18(15)22-19/h2-10H,11H2,1H3
InChIKeyDFHIEOPTQDBCGW-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.50
Rot. Bonds1

About 2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione

2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione (PubChem CID 15743025) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione.

Molecular Properties

Compound Name2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione
PubChem CID15743025
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione
SMILESCC1(c2ccccc2)CC2=C(O1)c1ccccc1C(=O)C2=O
InChIInChI=1S/C19H14O3/c1-19(12-7-3-2-4-8-12)11-15-17(21)16(20)13-9-5-6-10-14(13)18(15)22-19/h2-10H,11H2,1H3
InChIKeyDFHIEOPTQDBCGW-UHFFFAOYSA-N
XLogP3.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione?
The IUPAC name of 2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione (CID 15743025) is 2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione.
What is the SMILES notation for 2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione?
The canonical SMILES for 2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione is CC1(c2ccccc2)CC2=C(O1)c1ccccc1C(=O)C2=O.
What is the InChIKey of 2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione?
The InChIKey is DFHIEOPTQDBCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c1-19(12-7-3-2-4-8-12)11-15-17(21)16(20)13-9-5-6-10-14(13)18(15)22-19/h2-10H,11H2,1H3.
What are the key properties of 2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione?
2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione has a molecular weight of 290.32 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione is sourced from PubChem (CID 15743025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).