2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one

C16H13ClF2O2 — CID 65125998

IUPAC2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
SMILESCC(OCc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H13ClF2O2/c1-10(21-9-11-2-4-12(17)5-3-11)16(20)14-7-6-13(18)8-15(14)19/h2-8,10H,9H2,1H3
InChIKeyXLSCGHGLHLPULD-UHFFFAOYSA-N
MW310.73 g/mol
LogP4.41
Rot. Bonds5

About 2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one

2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one (PubChem CID 65125998) has the molecular formula C16H13ClF2O2 and a molecular weight of 310.73 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
PubChem CID65125998
Molecular FormulaC16H13ClF2O2
Molecular Weight310.73 g/mol
Exact Mass310.06
IUPAC Name2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
SMILESCC(OCc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H13ClF2O2/c1-10(21-9-11-2-4-12(17)5-3-11)16(20)14-7-6-13(18)8-15(14)19/h2-8,10H,9H2,1H3
InChIKeyXLSCGHGLHLPULD-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 51063986
2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
CID 82809590
1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one
CID 43800781
1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43232352
1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 62030770
1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
2-fluoro-4-(propan-2-yloxymethyl)benzoic acid
CID 106698299
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide
CID 108572727
1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795408
2-chloro-1-(2,4-difluorophenyl)butan-1-one
CID 130136877
1-[(4-chlorophenyl)methoxy]ethanol
CID 134444684

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one (CID 65125998) is 2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one is CC(OCc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one?
The InChIKey is XLSCGHGLHLPULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O2/c1-10(21-9-11-2-4-12(17)5-3-11)16(20)14-7-6-13(18)8-15(14)19/h2-8,10H,9H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one?
2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one has a molecular weight of 310.73 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one is sourced from PubChem (CID 65125998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).