2-bromo-1-(4-fluorophenoxy)-4-methylbenzene

C13H10BrFO — CID 59982340

IUPAC2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
SMILESCc1ccc(Oc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C13H10BrFO/c1-9-2-7-13(12(14)8-9)16-11-5-3-10(15)4-6-11/h2-8H,1H3
InChIKeySYBQOWNOALFORI-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.69
Rot. Bonds2

About 2-bromo-1-(4-fluorophenoxy)-4-methylbenzene

2-bromo-1-(4-fluorophenoxy)-4-methylbenzene (PubChem CID 59982340) has the molecular formula C13H10BrFO and a molecular weight of 281.12 g/mol. Its IUPAC name is 2-bromo-1-(4-fluorophenoxy)-4-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
PubChem CID59982340
Molecular FormulaC13H10BrFO
Molecular Weight281.12 g/mol
Exact Mass279.99
IUPAC Name2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
SMILESCc1ccc(Oc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C13H10BrFO/c1-9-2-7-13(12(14)8-9)16-11-5-3-10(15)4-6-11/h2-8H,1H3
InChIKeySYBQOWNOALFORI-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378
2-(4-fluorophenoxy)-5-methylbenzoic acid
CID 22767862
1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene
CID 106530632
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
1-bromo-2-(4-fluorophenoxy)benzene
CID 18423530
2-bromo-1-(4-fluorophenoxy)-4-(methylsulfonylmethyl)benzene
CID 139341597
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588
1-(4-fluorophenoxy)-4-methyl-2-(2-methylphenyl)benzene
CID 142805092
1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 43189121
4-(2-bromo-4-methylphenoxy)-2-methylbenzonitrile
CID 81273096
methyl 2-(4-fluorophenoxy)-5-methylbenzoate
CID 143796271

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-fluorophenoxy)-4-methylbenzene?
The IUPAC name of 2-bromo-1-(4-fluorophenoxy)-4-methylbenzene (CID 59982340) is 2-bromo-1-(4-fluorophenoxy)-4-methylbenzene.
What is the SMILES notation for 2-bromo-1-(4-fluorophenoxy)-4-methylbenzene?
The canonical SMILES for 2-bromo-1-(4-fluorophenoxy)-4-methylbenzene is Cc1ccc(Oc2ccc(F)cc2)c(Br)c1.
What is the InChIKey of 2-bromo-1-(4-fluorophenoxy)-4-methylbenzene?
The InChIKey is SYBQOWNOALFORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO/c1-9-2-7-13(12(14)8-9)16-11-5-3-10(15)4-6-11/h2-8H,1H3.
What are the key properties of 2-bromo-1-(4-fluorophenoxy)-4-methylbenzene?
2-bromo-1-(4-fluorophenoxy)-4-methylbenzene has a molecular weight of 281.12 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-fluorophenoxy)-4-methylbenzene is sourced from PubChem (CID 59982340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).