2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone

C21H15FO3 — CID 7717893

IUPAC2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone
SMILESO=C(c1ccccc1)c1ccc(OCC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H15FO3/c22-19-9-5-4-8-18(19)20(23)14-25-17-12-10-16(11-13-17)21(24)15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyLWXADIIRRGELDB-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.32
Rot. Bonds6

About 2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone

2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone (PubChem CID 7717893) has the molecular formula C21H15FO3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone
PubChem CID7717893
Molecular FormulaC21H15FO3
Molecular Weight334.35 g/mol
Exact Mass334.10
IUPAC Name2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone
SMILESO=C(c1ccccc1)c1ccc(OCC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H15FO3/c22-19-9-5-4-8-18(19)20(23)14-25-17-12-10-16(11-13-17)21(24)15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyLWXADIIRRGELDB-UHFFFAOYSA-N
XLogP4.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone
CID 2086964
4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 2440861
2-(4-benzoylphenoxy)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 2546824
2-(4-benzoylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 7604377
1-(2-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413948
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
(3,4-difluorophenyl) 2-(4-benzoylphenoxy)acetate
CID 8751820
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925475
CID 157442056
CID 157442056
ethane-1,2-diol;[4-[4-(2-fluorobenzoyl)phenoxy]phenyl]-(2-fluorophenyl)methanone
CID 71774691
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
5-amino-1-(4-benzoylphenoxy)pentan-2-one
CID 58115304

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone (CID 7717893) is 2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone is O=C(c1ccccc1)c1ccc(OCC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone?
The InChIKey is LWXADIIRRGELDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FO3/c22-19-9-5-4-8-18(19)20(23)14-25-17-12-10-16(11-13-17)21(24)15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone?
2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone has a molecular weight of 334.35 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 7717893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).