3-phenacyl-3H-2-benzofuran-1-one

C16H12O3 — CID 2864090

IUPAC3-phenacyl-3H-2-benzofuran-1-one
SMILESO=C(CC1OC(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C16H12O3/c17-14(11-6-2-1-3-7-11)10-15-12-8-4-5-9-13(12)16(18)19-15/h1-9,15H,10H2
InChIKeyHDFRRCTULQZGCK-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.17
Rot. Bonds3

About 3-phenacyl-3H-2-benzofuran-1-one

3-phenacyl-3H-2-benzofuran-1-one (PubChem CID 2864090) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-phenacyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-phenacyl-3H-2-benzofuran-1-one
PubChem CID2864090
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name3-phenacyl-3H-2-benzofuran-1-one
SMILESO=C(CC1OC(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C16H12O3/c17-14(11-6-2-1-3-7-11)10-15-12-8-4-5-9-13(12)16(18)19-15/h1-9,15H,10H2
InChIKeyHDFRRCTULQZGCK-UHFFFAOYSA-N
XLogP3.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenacyl-3H-2-benzofuran-1-one?
The IUPAC name of 3-phenacyl-3H-2-benzofuran-1-one (CID 2864090) is 3-phenacyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-phenacyl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-phenacyl-3H-2-benzofuran-1-one is O=C(CC1OC(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of 3-phenacyl-3H-2-benzofuran-1-one?
The InChIKey is HDFRRCTULQZGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-14(11-6-2-1-3-7-11)10-15-12-8-4-5-9-13(12)16(18)19-15/h1-9,15H,10H2.
What are the key properties of 3-phenacyl-3H-2-benzofuran-1-one?
3-phenacyl-3H-2-benzofuran-1-one has a molecular weight of 252.27 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenacyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 2864090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).