1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one

C16H14F2O2 — CID 62030770

IUPAC1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one
SMILESCC(OCc1ccccc1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2O2/c1-11(20-10-12-5-3-2-4-6-12)16(19)13-7-8-14(17)15(18)9-13/h2-9,11H,10H2,1H3
InChIKeyXTYPBIXXYWRXQA-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.75
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one

1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one (PubChem CID 62030770) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one
PubChem CID62030770
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one
SMILESCC(OCc1ccccc1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2O2/c1-11(20-10-12-5-3-2-4-6-12)16(19)13-7-8-14(17)15(18)9-13/h2-9,11H,10H2,1H3
InChIKeyXTYPBIXXYWRXQA-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.75
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
1-(3,4-difluorophenyl)-2-hexoxypropan-1-one
CID 43800697
(1-oxo-1-phenylpropan-2-yl) 3,4-difluorobenzoate
CID 55375913
1-(3,4-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one
CID 115942341
2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
CID 82826900
3-[(3,4-difluorophenyl)methyl-(2-phenylmethoxypropanoyl)amino]propanoic acid
CID 119207847
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
1-(3,4-difluorophenyl)-2-ethoxy-3-methylbutan-1-one
CID 116708727
(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 39927724
2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one
CID 82826755
potassium 2-phenylmethoxypropanoylazanide
CID 143775552
1-(3,4-difluorophenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794901

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one (CID 62030770) is 1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one is CC(OCc1ccccc1)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one?
The InChIKey is XTYPBIXXYWRXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-11(20-10-12-5-3-2-4-6-12)16(19)13-7-8-14(17)15(18)9-13/h2-9,11H,10H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one?
1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one has a molecular weight of 276.28 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-phenylmethoxypropan-1-one is sourced from PubChem (CID 62030770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).