1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone

C17H15FO3 — CID 66362964

IUPAC1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2Cc3cc(F)ccc3O2)cc1
InChIInChI=1S/C17H15FO3/c1-11(19)12-2-5-15(6-3-12)20-10-16-9-13-8-14(18)4-7-17(13)21-16/h2-8,16H,9-10H2,1H3
InChIKeyYITXMZGDLPGXJA-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.41
Rot. Bonds4

About 1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone

1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone (PubChem CID 66362964) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone
PubChem CID66362964
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2Cc3cc(F)ccc3O2)cc1
InChIInChI=1S/C17H15FO3/c1-11(19)12-2-5-15(6-3-12)20-10-16-9-13-8-14(18)4-7-17(13)21-16/h2-8,16H,9-10H2,1H3
InChIKeyYITXMZGDLPGXJA-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3,5-dimethylphenoxy)methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 141114126
4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92757640
4-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methoxy]benzoic acid
CID 66359974
(1S)-1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanamine
CID 66363116
1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanamine
CID 66365450
5-fluoro-2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 66361307
[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]methanol
CID 66364718
4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92756967
[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl 5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 97215614
(2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 126455540
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]propanoic acid
CID 66365503
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)hexan-3-one
CID 66364329

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone (CID 66362964) is 1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCC2Cc3cc(F)ccc3O2)cc1.
What is the InChIKey of 1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone?
The InChIKey is YITXMZGDLPGXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-11(19)12-2-5-15(6-3-12)20-10-16-9-13-8-14(18)4-7-17(13)21-16/h2-8,16H,9-10H2,1H3.
What are the key properties of 1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone?
1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone has a molecular weight of 286.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 66362964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).