1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one

C15H12ClFO2 — CID 112677592

IUPAC1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFO2/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(17)9-12(15)16/h3-9H,2H2,1H3
InChIKeyJYOUBBUPLNMSQN-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.86
Rot. Bonds4

About 1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one

1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one (PubChem CID 112677592) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
PubChem CID112677592
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFO2/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(17)9-12(15)16/h3-9H,2H2,1H3
InChIKeyJYOUBBUPLNMSQN-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one
CID 112677577
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
CID 115994697
1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one
CID 115994681
(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78941796
N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 54880707
(2-chloro-4-fluorophenyl) butanoate
CID 151885359
(2-chloro-4-fluorophenyl) propaneperoxoate
CID 174423371
1-(5-fluoro-2-propoxyphenyl)propan-1-one
CID 82268324
(2-propanoylphenyl) 3-fluorobenzenesulfonate
CID 18170869
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 103046633

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one (CID 112677592) is 1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one is CCC(=O)c1ccccc1Oc1ccc(F)cc1Cl.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one?
The InChIKey is JYOUBBUPLNMSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(17)9-12(15)16/h3-9H,2H2,1H3.
What are the key properties of 1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one?
1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one has a molecular weight of 278.71 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one is sourced from PubChem (CID 112677592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).