5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one

C20H20O2 — CID 139329778

IUPAC5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one
SMILESCCc1ccc(CC/C=C/c2ccc3c(c2)C(=O)CO3)cc1
InChIInChI=1S/C20H20O2/c1-2-15-7-9-16(10-8-15)5-3-4-6-17-11-12-20-18(13-17)19(21)14-22-20/h4,6-13H,2-3,5,14H2,1H3/b6-4+
InChIKeyVWKXAHYFYWCEEJ-GQCTYLIASA-N
MW292.38 g/mol
LogP4.47
Rot. Bonds5

About 5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one

5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one (PubChem CID 139329778) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one.

Molecular Properties

Compound Name5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one
PubChem CID139329778
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one
SMILESCCc1ccc(CC/C=C/c2ccc3c(c2)C(=O)CO3)cc1
InChIInChI=1S/C20H20O2/c1-2-15-7-9-16(10-8-15)5-3-4-6-17-11-12-20-18(13-17)19(21)14-22-20/h4,6-13H,2-3,5,14H2,1H3/b6-4+
InChIKeyVWKXAHYFYWCEEJ-GQCTYLIASA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one?
The IUPAC name of 5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one (CID 139329778) is 5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one.
What is the SMILES notation for 5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one?
The canonical SMILES for 5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one is CCc1ccc(CC/C=C/c2ccc3c(c2)C(=O)CO3)cc1.
What is the InChIKey of 5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one?
The InChIKey is VWKXAHYFYWCEEJ-GQCTYLIASA-N. The full InChI is InChI=1S/C20H20O2/c1-2-15-7-9-16(10-8-15)5-3-4-6-17-11-12-20-18(13-17)19(21)14-22-20/h4,6-13H,2-3,5,14H2,1H3/b6-4+.
What are the key properties of 5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one?
5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one has a molecular weight of 292.38 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one is sourced from PubChem (CID 139329778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).