1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene

C19H14BrFO — CID 54462897

IUPAC1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
SMILESFc1cc(OCc2ccccc2)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C19H14BrFO/c20-16-8-6-15(7-9-16)18-11-10-17(12-19(18)21)22-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyXCVOINLJHJXYPC-UHFFFAOYSA-N
MW357.22 g/mol
LogP5.83
Rot. Bonds4

About 1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene

1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene (PubChem CID 54462897) has the molecular formula C19H14BrFO and a molecular weight of 357.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
PubChem CID54462897
Molecular FormulaC19H14BrFO
Molecular Weight357.22 g/mol
Exact Mass356.02
IUPAC Name1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
SMILESFc1cc(OCc2ccccc2)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C19H14BrFO/c20-16-8-6-15(7-9-16)18-11-10-17(12-19(18)21)22-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyXCVOINLJHJXYPC-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.22
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
CID 54361131
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene
CID 126702173
2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene
CID 3743776
1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene
CID 54164319
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-bromo-6-phenylmethoxynaphthalene
CID 640595
4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene
CID 170728384
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
1-bromo-4-ethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-5-phenylmethoxybenzene
CID 170746175

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene?
The IUPAC name of 1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene (CID 54462897) is 1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene?
The canonical SMILES for 1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene is Fc1cc(OCc2ccccc2)ccc1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene?
The InChIKey is XCVOINLJHJXYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFO/c20-16-8-6-15(7-9-16)18-11-10-17(12-19(18)21)22-13-14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of 1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene?
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene has a molecular weight of 357.22 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene is sourced from PubChem (CID 54462897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).