1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one

C18H15FO2 — CID 114725241

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)c1cc2cccc(F)c2o1)c1ccccc1
InChIInChI=1S/C18H15FO2/c1-18(2,13-8-4-3-5-9-13)17(20)15-11-12-7-6-10-14(19)16(12)21-15/h3-11H,1-2H3
InChIKeyYXXLGHSPLNKGFP-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.73
Rot. Bonds3

About 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one

1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one (PubChem CID 114725241) has the molecular formula C18H15FO2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one
PubChem CID114725241
Molecular FormulaC18H15FO2
Molecular Weight282.31 g/mol
Exact Mass282.11
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)c1cc2cccc(F)c2o1)c1ccccc1
InChIInChI=1S/C18H15FO2/c1-18(2,13-8-4-3-5-9-13)17(20)15-11-12-7-6-10-14(19)16(12)21-15/h3-11H,1-2H3
InChIKeyYXXLGHSPLNKGFP-UHFFFAOYSA-N
XLogP4.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(7-fluoro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737156
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 114732727
1-(7-fluoro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone
CID 103458090
1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114737366
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone
CID 114725192
2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114736846
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114725353
1-(2-chloro-4,5-difluorophenyl)-2-methyl-2-phenylpropan-1-one
CID 107475705
7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 166214682

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one (CID 114725241) is 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)c1cc2cccc(F)c2o1)c1ccccc1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one?
The InChIKey is YXXLGHSPLNKGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO2/c1-18(2,13-8-4-3-5-9-13)17(20)15-11-12-7-6-10-14(19)16(12)21-15/h3-11H,1-2H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one?
1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one has a molecular weight of 282.31 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 114725241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).