2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene

C14H12BrFO — CID 175365323

IUPAC2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene
SMILESCc1cc(F)cc(C)c1Oc1ccccc1Br
InChIInChI=1S/C14H12BrFO/c1-9-7-11(16)8-10(2)14(9)17-13-6-4-3-5-12(13)15/h3-8H,1-2H3
InChIKeyYDCNCBUHWIGSHD-UHFFFAOYSA-N
MW295.15 g/mol
LogP5.00
Rot. Bonds2

About 2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene

2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene (PubChem CID 175365323) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene
PubChem CID175365323
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene
SMILESCc1cc(F)cc(C)c1Oc1ccccc1Br
InChIInChI=1S/C14H12BrFO/c1-9-7-11(16)8-10(2)14(9)17-13-6-4-3-5-12(13)15/h3-8H,1-2H3
InChIKeyYDCNCBUHWIGSHD-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-(4-fluorophenoxy)benzene
CID 18423530
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
2-(2-bromophenoxy)-3-methylaniline
CID 115550883
3-(2-bromophenoxy)-5-fluorobenzaldehyde
CID 106529469
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416
4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one
CID 155247610
2-(2-bromophenoxy)-1-methyl-3-nitrobenzene
CID 113333873
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
2-(2,4-ditert-butylphenoxy)-5-fluoro-1,3-dimethylbenzene
CID 164953864
2-(2-bromo-4-fluorophenoxy)-1-methyl-3-nitrobenzene
CID 115551202
3,5-dimethyl-4-(2-methylphenoxy)phenol
CID 18994525
6-(2-bromophenoxy)-5-methylpyridin-3-amine
CID 62476241

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene?
The IUPAC name of 2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene (CID 175365323) is 2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene is Cc1cc(F)cc(C)c1Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene?
The InChIKey is YDCNCBUHWIGSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c1-9-7-11(16)8-10(2)14(9)17-13-6-4-3-5-12(13)15/h3-8H,1-2H3.
What are the key properties of 2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene?
2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene has a molecular weight of 295.15 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 175365323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).