4-(4-bromophenoxy)-1,2-dimethylbenzene

C14H13BrO — CID 169336658

IUPAC4-(4-bromophenoxy)-1,2-dimethylbenzene
SMILESCc1ccc(Oc2ccc(Br)cc2)cc1C
InChIInChI=1S/C14H13BrO/c1-10-3-6-14(9-11(10)2)16-13-7-4-12(15)5-8-13/h3-9H,1-2H3
InChIKeyFTHGSQXKYLFFQB-UHFFFAOYSA-N
MW277.16 g/mol
LogP4.86
Rot. Bonds2

About 4-(4-bromophenoxy)-1,2-dimethylbenzene

4-(4-bromophenoxy)-1,2-dimethylbenzene (PubChem CID 169336658) has the molecular formula C14H13BrO and a molecular weight of 277.16 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(4-bromophenoxy)-1,2-dimethylbenzene
PubChem CID169336658
Molecular FormulaC14H13BrO
Molecular Weight277.16 g/mol
Exact Mass276.01
IUPAC Name4-(4-bromophenoxy)-1,2-dimethylbenzene
SMILESCc1ccc(Oc2ccc(Br)cc2)cc1C
InChIInChI=1S/C14H13BrO/c1-10-3-6-14(9-11(10)2)16-13-7-4-12(15)5-8-13/h3-9H,1-2H3
InChIKeyFTHGSQXKYLFFQB-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene
CID 134396698
1,3,5-tris(4-bromophenoxy)benzene
CID 102025054
[4-(3,4-dimethylphenoxy)phenyl]-dimethylborane
CID 58429995
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221726
4-bromo-2-(3,4-dimethylphenoxy)benzonitrile
CID 114902365
1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
CID 131997847
1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
CID 131997714
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-1,2-dimethylbenzene?
The IUPAC name of 4-(4-bromophenoxy)-1,2-dimethylbenzene (CID 169336658) is 4-(4-bromophenoxy)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(4-bromophenoxy)-1,2-dimethylbenzene?
The canonical SMILES for 4-(4-bromophenoxy)-1,2-dimethylbenzene is Cc1ccc(Oc2ccc(Br)cc2)cc1C.
What is the InChIKey of 4-(4-bromophenoxy)-1,2-dimethylbenzene?
The InChIKey is FTHGSQXKYLFFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO/c1-10-3-6-14(9-11(10)2)16-13-7-4-12(15)5-8-13/h3-9H,1-2H3.
What are the key properties of 4-(4-bromophenoxy)-1,2-dimethylbenzene?
4-(4-bromophenoxy)-1,2-dimethylbenzene has a molecular weight of 277.16 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-1,2-dimethylbenzene is sourced from PubChem (CID 169336658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).