2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone

C16H14BrFO3 — CID 82809087

IUPAC2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)COCc1cccc(Br)c1
InChIInChI=1S/C16H14BrFO3/c1-20-16-6-5-13(18)8-14(16)15(19)10-21-9-11-3-2-4-12(17)7-11/h2-8H,9-10H2,1H3
InChIKeyXPZMCAORMCYAAY-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.00
Rot. Bonds6

About 2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone

2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 82809087) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID82809087
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)COCc1cccc(Br)c1
InChIInChI=1S/C16H14BrFO3/c1-20-16-6-5-13(18)8-14(16)15(19)10-21-9-11-3-2-4-12(17)7-11/h2-8H,9-10H2,1H3
InChIKeyXPZMCAORMCYAAY-UHFFFAOYSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone
CID 82808702
1-(2,5-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
CID 62031147
1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799433
2-[(3-chlorophenyl)methoxy]-1-(2-methoxyphenyl)ethanone
CID 65126569
1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone
CID 146006170
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43413586
1-[(3-bromophenyl)methoxy]-3,3-dimethylbutan-2-one
CID 82827323
2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 66323732
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone
CID 82826756

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 82809087) is 2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone is COc1ccc(F)cc1C(=O)COCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is XPZMCAORMCYAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO3/c1-20-16-6-5-13(18)8-14(16)15(19)10-21-9-11-3-2-4-12(17)7-11/h2-8H,9-10H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 353.19 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 82809087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).