4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene

C19H14BrFO — CID 18668525

IUPAC4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene
SMILESFc1ccc(-c2cc(Br)ccc2OCc2ccccc2)cc1
InChIInChI=1S/C19H14BrFO/c20-16-8-11-19(22-13-14-4-2-1-3-5-14)18(12-16)15-6-9-17(21)10-7-15/h1-12H,13H2
InChIKeyYRADCUMALVJZJX-UHFFFAOYSA-N
MW357.22 g/mol
LogP5.83
Rot. Bonds4

About 4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene

4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene (PubChem CID 18668525) has the molecular formula C19H14BrFO and a molecular weight of 357.22 g/mol. Its IUPAC name is 4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene
PubChem CID18668525
Molecular FormulaC19H14BrFO
Molecular Weight357.22 g/mol
Exact Mass356.02
IUPAC Name4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene
SMILESFc1ccc(-c2cc(Br)ccc2OCc2ccccc2)cc1
InChIInChI=1S/C19H14BrFO/c20-16-8-11-19(22-13-14-4-2-1-3-5-14)18(12-16)15-6-9-17(21)10-7-15/h1-12H,13H2
InChIKeyYRADCUMALVJZJX-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-4-phenylmethoxybenzene
CID 138835
5,5'-Dibromo-2,2'-dimethoxybiphenyl
CID 378886
1-Bromo-4-[(4-iodophenyl)methoxy]benzene
CID 65479031
1-Bromo-3-[(4-fluorophenyl)methoxy]benzene
CID 2758970
3-[(m-Bromophenyl)methoxy]bromobenzene
CID 22601752
5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene
CID 641270
5-Bromo-3,3-dimethyl-2,3-dihydro-1-benzofuran
CID 5323595
6-Bromochroman
CID 10856814
4-(Benzyloxy)-1-bromo-2-fluorobenzene
CID 22273933
3-(3-Fluorobenzyloxy)-bromobenzene
CID 2758969
6-bromo-2-phenyl-2H-chromene
CID 44721340
Benzene, 1-(4-bromophenoxy)-3-((2-(4-fluorophenyl)-2-methylbutoxy)methyl)-
CID 3067123

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene?
The IUPAC name of 4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene (CID 18668525) is 4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene.
What is the SMILES notation for 4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene?
The canonical SMILES for 4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene is Fc1ccc(-c2cc(Br)ccc2OCc2ccccc2)cc1.
What is the InChIKey of 4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene?
The InChIKey is YRADCUMALVJZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFO/c20-16-8-11-19(22-13-14-4-2-1-3-5-14)18(12-16)15-6-9-17(21)10-7-15/h1-12H,13H2.
What are the key properties of 4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene?
4-bromo-2-(4-fluorophenyl)-1-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 4-bromo-2-(4-fluorophenyl)-1-phenylmethoxybenzene is sourced from PubChem (CID 18668525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).