2-benzyl-5-ethyl-1-benzofuran-3-one

C17H16O2 — CID 11807146

IUPAC2-benzyl-5-ethyl-1-benzofuran-3-one
SMILESCCc1ccc2c(c1)C(=O)C(Cc1ccccc1)O2
InChIInChI=1S/C17H16O2/c1-2-12-8-9-15-14(10-12)17(18)16(19-15)11-13-6-4-3-5-7-13/h3-10,16H,2,11H2,1H3
InChIKeySXCYMZLLDGFPII-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.44
Rot. Bonds3

About 2-benzyl-5-ethyl-1-benzofuran-3-one

2-benzyl-5-ethyl-1-benzofuran-3-one (PubChem CID 11807146) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-benzyl-5-ethyl-1-benzofuran-3-one.

Molecular Properties

Compound Name2-benzyl-5-ethyl-1-benzofuran-3-one
PubChem CID11807146
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-benzyl-5-ethyl-1-benzofuran-3-one
SMILESCCc1ccc2c(c1)C(=O)C(Cc1ccccc1)O2
InChIInChI=1S/C17H16O2/c1-2-12-8-9-15-14(10-12)17(18)16(19-15)11-13-6-4-3-5-7-13/h3-10,16H,2,11H2,1H3
InChIKeySXCYMZLLDGFPII-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethyl-1-benzofuran-3-one?
The IUPAC name of 2-benzyl-5-ethyl-1-benzofuran-3-one (CID 11807146) is 2-benzyl-5-ethyl-1-benzofuran-3-one.
What is the SMILES notation for 2-benzyl-5-ethyl-1-benzofuran-3-one?
The canonical SMILES for 2-benzyl-5-ethyl-1-benzofuran-3-one is CCc1ccc2c(c1)C(=O)C(Cc1ccccc1)O2.
What is the InChIKey of 2-benzyl-5-ethyl-1-benzofuran-3-one?
The InChIKey is SXCYMZLLDGFPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-12-8-9-15-14(10-12)17(18)16(19-15)11-13-6-4-3-5-7-13/h3-10,16H,2,11H2,1H3.
What are the key properties of 2-benzyl-5-ethyl-1-benzofuran-3-one?
2-benzyl-5-ethyl-1-benzofuran-3-one has a molecular weight of 252.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethyl-1-benzofuran-3-one is sourced from PubChem (CID 11807146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).