1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one

C15H12ClFO2 — CID 82716660

IUPAC1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
SMILESO=C(COc1ccc(Cl)c(F)c1)Cc1ccccc1
InChIInChI=1S/C15H12ClFO2/c16-14-7-6-13(9-15(14)17)19-10-12(18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyWMSFXJAJJQLIDW-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.67
Rot. Bonds5

About 1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one

1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one (PubChem CID 82716660) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
PubChem CID82716660
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
SMILESO=C(COc1ccc(Cl)c(F)c1)Cc1ccccc1
InChIInChI=1S/C15H12ClFO2/c16-14-7-6-13(9-15(14)17)19-10-12(18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyWMSFXJAJJQLIDW-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
CID 62032160
1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 107890837
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62033281
1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
CID 62034523
1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62028938
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-2-phenylacetamide
CID 138632411
1-(3-chloro-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 103042817
1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82716737
1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one
CID 107883883
1-[4-(2-hydroxyethyl)phenoxy]-3-phenylpropan-2-one
CID 107709236
1-(3-acetylphenoxy)-3-phenylpropan-2-one
CID 62030816

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one (CID 82716660) is 1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one is O=C(COc1ccc(Cl)c(F)c1)Cc1ccccc1.
What is the InChIKey of 1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one?
The InChIKey is WMSFXJAJJQLIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c16-14-7-6-13(9-15(14)17)19-10-12(18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2.
What are the key properties of 1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one?
1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one has a molecular weight of 278.71 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one is sourced from PubChem (CID 82716660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).