1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene

C19H14BrFO — CID 118507663

IUPAC1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene
SMILESCOc1cc(-c2ccccc2)ccc1-c1c(F)cccc1Br
InChIInChI=1S/C19H14BrFO/c1-22-18-12-14(13-6-3-2-4-7-13)10-11-15(18)19-16(20)8-5-9-17(19)21/h2-12H,1H3
InChIKeyTUWCMAAHLYGXDJ-UHFFFAOYSA-N
MW357.22 g/mol
LogP5.93
Rot. Bonds3

About 1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene

1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene (PubChem CID 118507663) has the molecular formula C19H14BrFO and a molecular weight of 357.22 g/mol. Its IUPAC name is 1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene
PubChem CID118507663
Molecular FormulaC19H14BrFO
Molecular Weight357.22 g/mol
Exact Mass356.02
IUPAC Name1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene
SMILESCOc1cc(-c2ccccc2)ccc1-c1c(F)cccc1Br
InChIInChI=1S/C19H14BrFO/c1-22-18-12-14(13-6-3-2-4-7-13)10-11-15(18)19-16(20)8-5-9-17(19)21/h2-12H,1H3
InChIKeyTUWCMAAHLYGXDJ-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.22
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2-[2-(2-methoxyphenyl)-4-phenylphenyl]aniline
CID 145327050
1-bromo-2-methoxy-4-(3-methylphenyl)benzene
CID 164895138
1-bromo-3-fluoro-2-(2-fluorophenyl)benzene
CID 125457696
1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene
CID 146407762
1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene
CID 165084325
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
2-(2-bromo-6-fluorophenyl)-5-methylphenol
CID 145447220
2-bromo-1-fluoro-4-phenylbenzene
CID 2773367
1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene
CID 146431475
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole
CID 58511530
1-(2-bromophenyl)-2-methoxy-4-methylbenzene
CID 171366737

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene?
The IUPAC name of 1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene (CID 118507663) is 1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene.
What is the SMILES notation for 1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene?
The canonical SMILES for 1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene is COc1cc(-c2ccccc2)ccc1-c1c(F)cccc1Br.
What is the InChIKey of 1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene?
The InChIKey is TUWCMAAHLYGXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFO/c1-22-18-12-14(13-6-3-2-4-7-13)10-11-15(18)19-16(20)8-5-9-17(19)21/h2-12H,1H3.
What are the key properties of 1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene?
1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene has a molecular weight of 357.22 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene is sourced from PubChem (CID 118507663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).