1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone

C16H14BrFO3 — CID 102947956

IUPAC1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2cc(Br)ccc2C(C)=O)c(F)c1
InChIInChI=1S/C16H14BrFO3/c1-10(19)14-6-4-12(17)7-16(14)21-9-11-3-5-13(20-2)8-15(11)18/h3-8H,9H2,1-2H3
InChIKeyNLQIJCUFIQOQKW-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.38
Rot. Bonds5

About 1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone

1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone (PubChem CID 102947956) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is 1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone
PubChem CID102947956
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2cc(Br)ccc2C(C)=O)c(F)c1
InChIInChI=1S/C16H14BrFO3/c1-10(19)14-6-4-12(17)7-16(14)21-9-11-3-5-13(20-2)8-15(11)18/h3-8H,9H2,1-2H3
InChIKeyNLQIJCUFIQOQKW-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78978251
1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone
CID 102948055
1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 102948039
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875975
2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 102875976
1-[5-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876048
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 107675360
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972
1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78906437
1-[4-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102948099
2-[(2-fluoro-4-methoxyphenyl)methoxy]phenol
CID 102877217
1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one
CID 115495326

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone (CID 102947956) is 1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone is COc1ccc(COc2cc(Br)ccc2C(C)=O)c(F)c1.
What is the InChIKey of 1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone?
The InChIKey is NLQIJCUFIQOQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO3/c1-10(19)14-6-4-12(17)7-16(14)21-9-11-3-5-13(20-2)8-15(11)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone?
1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone has a molecular weight of 353.19 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 102947956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).