1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone

C17H15FO3 — CID 79218922

IUPAC1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCC1COc2ccccc21
InChIInChI=1S/C17H15FO3/c1-11(19)14-7-6-13(18)8-17(14)21-10-12-9-20-16-5-3-2-4-15(12)16/h2-8,12H,9-10H2,1H3
InChIKeyXRNQAFSAMYYIBL-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.58
Rot. Bonds4

About 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone

1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone (PubChem CID 79218922) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone
PubChem CID79218922
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCC1COc2ccccc21
InChIInChI=1S/C17H15FO3/c1-11(19)14-7-6-13(18)8-17(14)21-10-12-9-20-16-5-3-2-4-15(12)16/h2-8,12H,9-10H2,1H3
InChIKeyXRNQAFSAMYYIBL-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid
CID 79218339
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
CID 63067473
2-chloro-6-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid
CID 114320330
2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid
CID 106500778
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81005013
[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol
CID 107698362
4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorobenzenecarbothioamide
CID 107665832
(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine
CID 79218494
2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine
CID 107692566
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline
CID 79226564
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanone
CID 82003693

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone (CID 79218922) is 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)cc1OCC1COc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone?
The InChIKey is XRNQAFSAMYYIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-11(19)14-7-6-13(18)8-17(14)21-10-12-9-20-16-5-3-2-4-15(12)16/h2-8,12H,9-10H2,1H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone?
1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone has a molecular weight of 286.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone is sourced from PubChem (CID 79218922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).