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

C16H14ClFO2 — CID 62622233

IUPAC1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one
SMILESO=C(CCOc1ccccc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H14ClFO2/c17-16-11-13(18)7-6-12(16)10-14(19)8-9-20-15-4-2-1-3-5-15/h1-7,11H,8-10H2
InChIKeyCOEGDVPYVXMSIF-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.06
Rot. Bonds6

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

1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one (PubChem CID 62622233) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one
PubChem CID62622233
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one
SMILESO=C(CCOc1ccccc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H14ClFO2/c17-16-11-13(18)7-6-12(16)10-14(19)8-9-20-15-4-2-1-3-5-15/h1-7,11H,8-10H2
InChIKeyCOEGDVPYVXMSIF-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

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Related Compounds

1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one
CID 114347135
1-(4-chloro-3-fluorophenyl)-4-phenoxybutan-2-one
CID 107883883
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one
CID 106677431
1-(2-ethyl-5-fluorophenyl)-4-(4-methylphenoxy)butan-2-one
CID 161319031
1-(2-chloro-4-fluorophenyl)-5,5-dimethylhexan-2-one
CID 63034237
1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
CID 106865437
1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one
CID 62717383
1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one
CID 63034230
1-(2-chloro-4-fluorophenyl)-5-methylsulfonylpentan-2-one
CID 55163719
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenoxy)butan-2-one
CID 105090148
2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431133

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one (CID 62622233) is 1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one is O=C(CCOc1ccccc1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one?
The InChIKey is COEGDVPYVXMSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c17-16-11-13(18)7-6-12(16)10-14(19)8-9-20-15-4-2-1-3-5-15/h1-7,11H,8-10H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one?
1-(2-chloro-4-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-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one is sourced from PubChem (CID 62622233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).