2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one

C16H14ClFO3 — CID 60624535

IUPAC2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Oc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H14ClFO3/c1-10(21-15-8-5-12(18)9-14(15)17)16(19)11-3-6-13(20-2)7-4-11/h3-10H,1-2H3
InChIKeyFLEYSPPTHRRHIJ-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.14
Rot. Bonds5

About 2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one

2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 60624535) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one
PubChem CID60624535
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Name2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Oc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H14ClFO3/c1-10(21-15-8-5-12(18)9-14(15)17)16(19)11-3-6-13(20-2)7-4-11/h3-10H,1-2H3
InChIKeyFLEYSPPTHRRHIJ-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872946
2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 43412278
1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one
CID 43413172
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119504495
N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
CID 1104980
2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 104708077
1-(4-chlorophenyl)-2-(3-fluorophenoxy)propan-1-one
CID 43413409
3-chloro-4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzaldehyde
CID 62033107
(2S)-2-(2-methoxy-5-nitrophenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 7931835
2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
CID 43218886
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8620507

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one (CID 60624535) is 2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)Oc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is FLEYSPPTHRRHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c1-10(21-15-8-5-12(18)9-14(15)17)16(19)11-3-6-13(20-2)7-4-11/h3-10H,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one?
2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 308.74 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 60624535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).