4-(3-phenyl-1-benzofuran-2-yl)butan-2-one

C18H16O2 — CID 873105

IUPAC4-(3-phenyl-1-benzofuran-2-yl)butan-2-one
SMILESCC(=O)CCc1oc2ccccc2c1-c1ccccc1
InChIInChI=1S/C18H16O2/c1-13(19)11-12-17-18(14-7-3-2-4-8-14)15-9-5-6-10-16(15)20-17/h2-10H,11-12H2,1H3
InChIKeyFKLJGRSLWDZFSS-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.62
Rot. Bonds4

About 4-(3-phenyl-1-benzofuran-2-yl)butan-2-one

4-(3-phenyl-1-benzofuran-2-yl)butan-2-one (PubChem CID 873105) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(3-phenyl-1-benzofuran-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(3-phenyl-1-benzofuran-2-yl)butan-2-one
PubChem CID873105
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name4-(3-phenyl-1-benzofuran-2-yl)butan-2-one
SMILESCC(=O)CCc1oc2ccccc2c1-c1ccccc1
InChIInChI=1S/C18H16O2/c1-13(19)11-12-17-18(14-7-3-2-4-8-14)15-9-5-6-10-16(15)20-17/h2-10H,11-12H2,1H3
InChIKeyFKLJGRSLWDZFSS-UHFFFAOYSA-N
XLogP4.62
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1-benzofuran-2-yl)butan-2-one?
The IUPAC name of 4-(3-phenyl-1-benzofuran-2-yl)butan-2-one (CID 873105) is 4-(3-phenyl-1-benzofuran-2-yl)butan-2-one.
What is the SMILES notation for 4-(3-phenyl-1-benzofuran-2-yl)butan-2-one?
The canonical SMILES for 4-(3-phenyl-1-benzofuran-2-yl)butan-2-one is CC(=O)CCc1oc2ccccc2c1-c1ccccc1.
What is the InChIKey of 4-(3-phenyl-1-benzofuran-2-yl)butan-2-one?
The InChIKey is FKLJGRSLWDZFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-13(19)11-12-17-18(14-7-3-2-4-8-14)15-9-5-6-10-16(15)20-17/h2-10H,11-12H2,1H3.
What are the key properties of 4-(3-phenyl-1-benzofuran-2-yl)butan-2-one?
4-(3-phenyl-1-benzofuran-2-yl)butan-2-one has a molecular weight of 264.32 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1-benzofuran-2-yl)butan-2-one is sourced from PubChem (CID 873105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).