1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one

C16H14ClFO2 — CID 107883883

IUPAC1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one
SMILESO=C(CCOc1ccccc1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H14ClFO2/c17-15-7-6-12(11-16(15)18)10-13(19)8-9-20-14-4-2-1-3-5-14/h1-7,11H,8-10H2
InChIKeyVHCGKILXDRYPRL-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.06
Rot. Bonds6

About 1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one

1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one (PubChem CID 107883883) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one
PubChem CID107883883
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one
SMILESO=C(CCOc1ccccc1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H14ClFO2/c17-15-7-6-12(11-16(15)18)10-13(19)8-9-20-14-4-2-1-3-5-14/h1-7,11H,8-10H2
InChIKeyVHCGKILXDRYPRL-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one
CID 62622233
1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 107890837
1-(4-chloro-3-fluorophenyl)-4-(2,2-difluoroethoxy)butan-2-one
CID 107884141
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-one
CID 107883978
1-(3-methylphenyl)-4-phenoxybutan-2-one
CID 55023485
1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
CID 82716660
1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one
CID 114347135
1-(4-fluorophenyl)-4-(3-methylphenoxy)butan-2-one
CID 105078427
1-(3,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62619888
1-(3-chloro-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 103042817
1-(2-chlorophenyl)-3-phenoxypropan-1-one
CID 61029805
1,1,1-trifluoro-5-phenoxypentan-3-one
CID 94504736

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one (CID 107883883) is 1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one is O=C(CCOc1ccccc1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one?
The InChIKey is VHCGKILXDRYPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c17-15-7-6-12(11-16(15)18)10-13(19)8-9-20-14-4-2-1-3-5-14/h1-7,11H,8-10H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one?
1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one has a molecular weight of 292.74 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one is sourced from PubChem (CID 107883883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).