1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone

C17H15FO2 — CID 115812718

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H15FO2/c1-11-8-15(18)4-2-12(11)10-16(19)13-3-5-17-14(9-13)6-7-20-17/h2-5,8-9H,6-7,10H2,1H3
InChIKeyKHHKCTRKBYPGBW-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.49
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 115812718) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone
PubChem CID115812718
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H15FO2/c1-11-8-15(18)4-2-12(11)10-16(19)13-3-5-17-14(9-13)6-7-20-17/h2-5,8-9H,6-7,10H2,1H3
InChIKeyKHHKCTRKBYPGBW-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone 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

2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 114968030
2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 114968207
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46583863
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492348
1-(3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)propan-1-one
CID 171048804
2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
CID 61026711

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone (CID 115812718) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone is Cc1cc(F)ccc1CC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is KHHKCTRKBYPGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-11-8-15(18)4-2-12(11)10-16(19)13-3-5-17-14(9-13)6-7-20-17/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 270.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 115812718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).