3-phenyl-3H-benzo[g][2]benzofuran-1-one

C18H12O2 — CID 4114993

IUPAC3-phenyl-3H-benzo[g][2]benzofuran-1-one
SMILESO=C1OC(c2ccccc2)c2ccc3ccccc3c21
InChIInChI=1S/C18H12O2/c19-18-16-14-9-5-4-6-12(14)10-11-15(16)17(20-18)13-7-2-1-3-8-13/h1-11,17H
InChIKeyKTUOEXOTGZPYQC-UHFFFAOYSA-N
MW260.29 g/mol
LogP4.10
Rot. Bonds1

About 3-phenyl-3H-benzo[g][2]benzofuran-1-one

3-phenyl-3H-benzo[g][2]benzofuran-1-one (PubChem CID 4114993) has the molecular formula C18H12O2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-phenyl-3H-benzo[g][2]benzofuran-1-one.

Molecular Properties

Compound Name3-phenyl-3H-benzo[g][2]benzofuran-1-one
PubChem CID4114993
Molecular FormulaC18H12O2
Molecular Weight260.29 g/mol
Exact Mass260.08
IUPAC Name3-phenyl-3H-benzo[g][2]benzofuran-1-one
SMILESO=C1OC(c2ccccc2)c2ccc3ccccc3c21
InChIInChI=1S/C18H12O2/c19-18-16-14-9-5-4-6-12(14)10-11-15(16)17(20-18)13-7-2-1-3-8-13/h1-11,17H
InChIKeyKTUOEXOTGZPYQC-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3H-benzo[g][2]benzofuran-1-one?
The IUPAC name of 3-phenyl-3H-benzo[g][2]benzofuran-1-one (CID 4114993) is 3-phenyl-3H-benzo[g][2]benzofuran-1-one.
What is the SMILES notation for 3-phenyl-3H-benzo[g][2]benzofuran-1-one?
The canonical SMILES for 3-phenyl-3H-benzo[g][2]benzofuran-1-one is O=C1OC(c2ccccc2)c2ccc3ccccc3c21.
What is the InChIKey of 3-phenyl-3H-benzo[g][2]benzofuran-1-one?
The InChIKey is KTUOEXOTGZPYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2/c19-18-16-14-9-5-4-6-12(14)10-11-15(16)17(20-18)13-7-2-1-3-8-13/h1-11,17H.
What are the key properties of 3-phenyl-3H-benzo[g][2]benzofuran-1-one?
3-phenyl-3H-benzo[g][2]benzofuran-1-one has a molecular weight of 260.29 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3H-benzo[g][2]benzofuran-1-one is sourced from PubChem (CID 4114993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).