4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene

C25H18BrFO — CID 54061452

IUPAC4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
SMILESFc1cc(-c2ccc(-c3ccc(Br)cc3)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C25H18BrFO/c26-23-13-10-20(11-14-23)19-6-8-21(9-7-19)22-12-15-25(24(27)16-22)28-17-18-4-2-1-3-5-18/h1-16H,17H2
InChIKeyLZZYRFHSXBELML-UHFFFAOYSA-N
MW433.32 g/mol
LogP7.50
Rot. Bonds5

About 4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene

4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene (PubChem CID 54061452) has the molecular formula C25H18BrFO and a molecular weight of 433.32 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
PubChem CID54061452
Molecular FormulaC25H18BrFO
Molecular Weight433.32 g/mol
Exact Mass432.05
IUPAC Name4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
SMILESFc1cc(-c2ccc(-c3ccc(Br)cc3)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C25H18BrFO/c26-23-13-10-20(11-14-23)19-6-8-21(9-7-19)22-12-15-25(24(27)16-22)28-17-18-4-2-1-3-5-18/h1-16H,17H2
InChIKeyLZZYRFHSXBELML-UHFFFAOYSA-N
XLogP7.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.32
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene
CID 54164319
2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
CID 19430958
5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 122200240
4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene
CID 146003862
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
2-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
5-phenyl-2-phenylmethoxyphenol
CID 11994792
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007
5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599822

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene?
The IUPAC name of 4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene (CID 54061452) is 4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene.
What is the SMILES notation for 4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene?
The canonical SMILES for 4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene is Fc1cc(-c2ccc(-c3ccc(Br)cc3)cc2)ccc1OCc1ccccc1.
What is the InChIKey of 4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene?
The InChIKey is LZZYRFHSXBELML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrFO/c26-23-13-10-20(11-14-23)19-6-8-21(9-7-19)22-12-15-25(24(27)16-22)28-17-18-4-2-1-3-5-18/h1-16H,17H2.
What are the key properties of 4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene?
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene has a molecular weight of 433.32 g/mol, XLogP of 7.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene is sourced from PubChem (CID 54061452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).