4-phenyl-3H-benzo[f][2]benzofuran-1-one

C18H12O2 — CID 14376458

IUPAC4-phenyl-3H-benzo[f][2]benzofuran-1-one
SMILESO=C1OCc2c1cc1ccccc1c2-c1ccccc1
InChIInChI=1S/C18H12O2/c19-18-15-10-13-8-4-5-9-14(13)17(16(15)11-20-18)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyYKQZHWOLYXLWSS-UHFFFAOYSA-N
MW260.29 g/mol
LogP4.18
Rot. Bonds1

About 4-phenyl-3H-benzo[f][2]benzofuran-1-one

4-phenyl-3H-benzo[f][2]benzofuran-1-one (PubChem CID 14376458) has the molecular formula C18H12O2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-phenyl-3H-benzo[f][2]benzofuran-1-one.

Molecular Properties

Compound Name4-phenyl-3H-benzo[f][2]benzofuran-1-one
PubChem CID14376458
Molecular FormulaC18H12O2
Molecular Weight260.29 g/mol
Exact Mass260.08
IUPAC Name4-phenyl-3H-benzo[f][2]benzofuran-1-one
SMILESO=C1OCc2c1cc1ccccc1c2-c1ccccc1
InChIInChI=1S/C18H12O2/c19-18-15-10-13-8-4-5-9-14(13)17(16(15)11-20-18)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyYKQZHWOLYXLWSS-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3H-benzo[f][2]benzofuran-1-one?
The IUPAC name of 4-phenyl-3H-benzo[f][2]benzofuran-1-one (CID 14376458) is 4-phenyl-3H-benzo[f][2]benzofuran-1-one.
What is the SMILES notation for 4-phenyl-3H-benzo[f][2]benzofuran-1-one?
The canonical SMILES for 4-phenyl-3H-benzo[f][2]benzofuran-1-one is O=C1OCc2c1cc1ccccc1c2-c1ccccc1.
What is the InChIKey of 4-phenyl-3H-benzo[f][2]benzofuran-1-one?
The InChIKey is YKQZHWOLYXLWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2/c19-18-15-10-13-8-4-5-9-14(13)17(16(15)11-20-18)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 4-phenyl-3H-benzo[f][2]benzofuran-1-one?
4-phenyl-3H-benzo[f][2]benzofuran-1-one has a molecular weight of 260.29 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3H-benzo[f][2]benzofuran-1-one is sourced from PubChem (CID 14376458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).