1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone

C20H14F2O2 — CID 58187299

IUPAC1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(Oc2cc(F)ccc2F)cc1
InChIInChI=1S/C20H14F2O2/c21-16-8-11-18(22)20(13-16)24-17-9-6-15(7-10-17)19(23)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyDEYPCUBKEMEVOW-UHFFFAOYSA-N
MW324.33 g/mol
LogP5.18
Rot. Bonds5

About 1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone

1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone (PubChem CID 58187299) has the molecular formula C20H14F2O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is 1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone
PubChem CID58187299
Molecular FormulaC20H14F2O2
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(Oc2cc(F)ccc2F)cc1
InChIInChI=1S/C20H14F2O2/c21-16-8-11-18(22)20(13-16)24-17-9-6-15(7-10-17)19(23)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyDEYPCUBKEMEVOW-UHFFFAOYSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.33
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(4-fluoro-3-phenoxyphenyl)methanone
CID 67872405
1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
CID 102402149
2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
CID 158282990
3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one
CID 21322566
4-(2,5-difluorophenoxy)benzenecarbothioamide
CID 63269381
2-(4-chlorophenoxy)-1,4-difluorobenzene
CID 141112075
1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone
CID 58302672
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone
CID 14256935
(E)-2-benzamido-3-[4-(2,5-difluorophenoxy)phenyl]prop-2-enoic acid
CID 22148069
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 115736561

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone?
The IUPAC name of 1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone (CID 58187299) is 1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone?
The canonical SMILES for 1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(Oc2cc(F)ccc2F)cc1.
What is the InChIKey of 1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone?
The InChIKey is DEYPCUBKEMEVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2O2/c21-16-8-11-18(22)20(13-16)24-17-9-6-15(7-10-17)19(23)12-14-4-2-1-3-5-14/h1-11,13H,12H2.
What are the key properties of 1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone?
1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone has a molecular weight of 324.33 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone is sourced from PubChem (CID 58187299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).