5-benzyl-1-benzofuran-3-one

C15H12O2 — CID 62272990

IUPAC5-benzyl-1-benzofuran-3-one
SMILESO=C1COc2ccc(Cc3ccccc3)cc21
InChIInChI=1S/C15H12O2/c16-14-10-17-15-7-6-12(9-13(14)15)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyBGNZPGMCVIRDPZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.85
Rot. Bonds2

About 5-benzyl-1-benzofuran-3-one

5-benzyl-1-benzofuran-3-one (PubChem CID 62272990) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-benzyl-1-benzofuran-3-one.

Molecular Properties

Compound Name5-benzyl-1-benzofuran-3-one
PubChem CID62272990
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name5-benzyl-1-benzofuran-3-one
SMILESO=C1COc2ccc(Cc3ccccc3)cc21
InChIInChI=1S/C15H12O2/c16-14-10-17-15-7-6-12(9-13(14)15)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyBGNZPGMCVIRDPZ-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-benzofuran-3-one?
The IUPAC name of 5-benzyl-1-benzofuran-3-one (CID 62272990) is 5-benzyl-1-benzofuran-3-one.
What is the SMILES notation for 5-benzyl-1-benzofuran-3-one?
The canonical SMILES for 5-benzyl-1-benzofuran-3-one is O=C1COc2ccc(Cc3ccccc3)cc21.
What is the InChIKey of 5-benzyl-1-benzofuran-3-one?
The InChIKey is BGNZPGMCVIRDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c16-14-10-17-15-7-6-12(9-13(14)15)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2.
What are the key properties of 5-benzyl-1-benzofuran-3-one?
5-benzyl-1-benzofuran-3-one has a molecular weight of 224.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-benzofuran-3-one is sourced from PubChem (CID 62272990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).