1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone

C15H12F2O2 — CID 54911823

IUPAC1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone
SMILESCOc1cc(F)c(-c2cccc(C(C)=O)c2)c(F)c1
InChIInChI=1S/C15H12F2O2/c1-9(18)10-4-3-5-11(6-10)15-13(16)7-12(19-2)8-14(15)17/h3-8H,1-2H3
InChIKeyGDMXTUVQLIUFHG-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.84
Rot. Bonds3

About 1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone

1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone (PubChem CID 54911823) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone
PubChem CID54911823
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone
SMILESCOc1cc(F)c(-c2cccc(C(C)=O)c2)c(F)c1
InChIInChI=1S/C15H12F2O2/c1-9(18)10-4-3-5-11(6-10)15-13(16)7-12(19-2)8-14(15)17/h3-8H,1-2H3
InChIKeyGDMXTUVQLIUFHG-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-difluorophenyl)-5-methoxybenzoic acid
CID 53225965
1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
1-[3-(4-fluoro-3-hydroxyphenyl)phenyl]ethanone
CID 53219389
3-(4-methoxy-2,6-dimethylphenyl)benzoyl chloride
CID 87835079
1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
CID 54912743
1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone
CID 62964604
3,5-difluoro-4-(3-methoxyphenyl)aniline
CID 175669991
1-[3-[2-fluoro-6-methoxy-3-(4-nitrophenoxy)phenyl]phenyl]ethanone
CID 69003311
3,5-difluoro-2-(3-methoxyphenyl)benzaldehyde
CID 170457664
2-(2,6-difluoro-4-methoxyphenyl)-6-fluorobenzoic acid
CID 114560379
1-[2-fluoro-6-(3-methoxyphenyl)phenyl]ethanone
CID 175686725

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone (CID 54911823) is 1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone is COc1cc(F)c(-c2cccc(C(C)=O)c2)c(F)c1.
What is the InChIKey of 1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone?
The InChIKey is GDMXTUVQLIUFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-9(18)10-4-3-5-11(6-10)15-13(16)7-12(19-2)8-14(15)17/h3-8H,1-2H3.
What are the key properties of 1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone?
1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone has a molecular weight of 262.25 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 54911823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).