1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone

C17H15FO2 — CID 76931527

IUPAC1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone
SMILESO=C(COCC=Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H15FO2/c18-16-11-5-4-10-15(16)17(19)13-20-12-6-9-14-7-2-1-3-8-14/h1-11H,12-13H2
InChIKeyQAEDMXUHBSXBJD-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.74
Rot. Bonds6

About 1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone

1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone (PubChem CID 76931527) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone
PubChem CID76931527
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone
SMILESO=C(COCC=Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H15FO2/c18-16-11-5-4-10-15(16)17(19)13-20-12-6-9-14-7-2-1-3-8-14/h1-11H,12-13H2
InChIKeyQAEDMXUHBSXBJD-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-but-3-enoxy-1-(2-fluorophenyl)ethanone
CID 62030066
(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
CID 11310468
5-fluoro-2-(3-phenylprop-2-enoxymethyl)benzoic acid
CID 76994576
(Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid
CID 126526206
2-[[(E)-3-phenylprop-2-enoxy]methyl]prop-2-en-1-amine
CID 103074242
2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
CID 82826611
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
[(E)-3-phenylprop-2-enyl] 2-(trifluoromethyl)benzoate
CID 5374335
[(E)-3-phenylprop-2-enyl] 2-methylbenzoate
CID 15365126
1-(2-fluorophenyl)-2-(1-phenylethoxy)ethanone
CID 62031430

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone (CID 76931527) is 1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone is O=C(COCC=Cc1ccccc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone?
The InChIKey is QAEDMXUHBSXBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c18-16-11-5-4-10-15(16)17(19)13-20-12-6-9-14-7-2-1-3-8-14/h1-11H,12-13H2.
What are the key properties of 1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone?
1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone has a molecular weight of 270.30 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone is sourced from PubChem (CID 76931527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).