2-(3-bromophenoxy)-4-methylbenzonitrile

C14H10BrNO — CID 63511715

IUPAC2-(3-bromophenoxy)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Oc2cccc(Br)c2)c1
InChIInChI=1S/C14H10BrNO/c1-10-5-6-11(9-16)14(7-10)17-13-4-2-3-12(15)8-13/h2-8H,1H3
InChIKeyIUHHRFVQWCZZGD-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.42
Rot. Bonds2

About 2-(3-bromophenoxy)-4-methylbenzonitrile

2-(3-bromophenoxy)-4-methylbenzonitrile (PubChem CID 63511715) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(3-bromophenoxy)-4-methylbenzonitrile
PubChem CID63511715
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name2-(3-bromophenoxy)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Oc2cccc(Br)c2)c1
InChIInChI=1S/C14H10BrNO/c1-10-5-6-11(9-16)14(7-10)17-13-4-2-3-12(15)8-13/h2-8H,1H3
InChIKeyIUHHRFVQWCZZGD-UHFFFAOYSA-N
XLogP4.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenoxy)benzonitrile
CID 28602353
5-methyl-2-(3-methylphenoxy)benzonitrile
CID 107928086
2-(4-bromo-2-methylphenoxy)-4-methylbenzonitrile
CID 63512756
4-bromo-2-(3,4-dimethylphenoxy)benzonitrile
CID 114902365
4-bromo-2-(3-methylsulfonylphenoxy)benzonitrile
CID 114902433
3-(3-bromophenoxy)-2-nitrobenzonitrile
CID 113444903
4-bromo-2-(5-methyl-2-propan-2-ylphenoxy)benzonitrile
CID 114902358
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560
4-bromo-2-(3,5-dimethoxyphenoxy)benzonitrile
CID 23431864
4-bromo-2-naphthalen-2-yloxybenzonitrile
CID 114902376
2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile
CID 107928233
5-bromo-2-(3-tert-butylphenoxy)benzonitrile
CID 114891014

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-4-methylbenzonitrile?
The IUPAC name of 2-(3-bromophenoxy)-4-methylbenzonitrile (CID 63511715) is 2-(3-bromophenoxy)-4-methylbenzonitrile.
What is the SMILES notation for 2-(3-bromophenoxy)-4-methylbenzonitrile?
The canonical SMILES for 2-(3-bromophenoxy)-4-methylbenzonitrile is Cc1ccc(C#N)c(Oc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenoxy)-4-methylbenzonitrile?
The InChIKey is IUHHRFVQWCZZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c1-10-5-6-11(9-16)14(7-10)17-13-4-2-3-12(15)8-13/h2-8H,1H3.
What are the key properties of 2-(3-bromophenoxy)-4-methylbenzonitrile?
2-(3-bromophenoxy)-4-methylbenzonitrile has a molecular weight of 288.14 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-4-methylbenzonitrile is sourced from PubChem (CID 63511715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).