1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone

C16H14BrFO3 — CID 105086081

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)c(C(=O)Cc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H14BrFO3/c1-20-11-4-5-13(17)12(9-11)15(19)8-10-3-6-16(21-2)14(18)7-10/h3-7,9H,8H2,1-2H3
InChIKeyPVAWPCBTKSTQEP-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.03
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone

1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 105086081) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID105086081
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)c(C(=O)Cc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H14BrFO3/c1-20-11-4-5-13(17)12(9-11)15(19)8-10-3-6-16(21-2)14(18)7-10/h3-7,9H,8H2,1-2H3
InChIKeyPVAWPCBTKSTQEP-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890861
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
CID 105118266
1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966188
1-(2-bromo-3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 107538015
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667364
1-(4-chloro-2,5-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966239
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
ethane;1-(5-fluoro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 144761231
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790005
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107538191

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone (CID 105086081) is 1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(Br)c(C(=O)Cc2ccc(OC)c(F)c2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is PVAWPCBTKSTQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO3/c1-20-11-4-5-13(17)12(9-11)15(19)8-10-3-6-16(21-2)14(18)7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone?
1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 353.19 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 105086081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).