2-bromo-4-(2-methylphenoxy)benzonitrile

C14H10BrNO — CID 107276924

IUPAC2-bromo-4-(2-methylphenoxy)benzonitrile
SMILESCc1ccccc1Oc1ccc(C#N)c(Br)c1
InChIInChI=1S/C14H10BrNO/c1-10-4-2-3-5-14(10)17-12-7-6-11(9-16)13(15)8-12/h2-8H,1H3
InChIKeyOJEXHOPKRMPUMU-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.42
Rot. Bonds2

About 2-bromo-4-(2-methylphenoxy)benzonitrile

2-bromo-4-(2-methylphenoxy)benzonitrile (PubChem CID 107276924) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-bromo-4-(2-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name2-bromo-4-(2-methylphenoxy)benzonitrile
PubChem CID107276924
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name2-bromo-4-(2-methylphenoxy)benzonitrile
SMILESCc1ccccc1Oc1ccc(C#N)c(Br)c1
InChIInChI=1S/C14H10BrNO/c1-10-4-2-3-5-14(10)17-12-7-6-11(9-16)13(15)8-12/h2-8H,1H3
InChIKeyOJEXHOPKRMPUMU-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

Analyze 2-bromo-4-(2-methylphenoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-(2-chlorophenoxy)benzonitrile
CID 107276919
4-(3-amino-2-methylphenoxy)-2-bromobenzonitrile
CID 107280439
2-bromo-4-(2,3,5-trimethylphenoxy)benzonitrile
CID 107276953
2-bromo-4-naphthalen-1-yloxybenzonitrile
CID 107276928
2-(3-bromo-4-cyanophenoxy)benzoic acid
CID 107281295
N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide
CID 107276937
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107712390
2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile
CID 107277110
4-(2-bromo-4-methylphenoxy)-2-methylbenzonitrile
CID 81273096
5-bromo-2-(4-bromo-3-methylphenoxy)benzonitrile
CID 114891091
3-amino-4-(3-bromo-4-cyanophenoxy)benzonitrile
CID 107280443
2-methyl-4-(2-methylsulfanylphenoxy)benzonitrile
CID 81282036

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-methylphenoxy)benzonitrile?
The IUPAC name of 2-bromo-4-(2-methylphenoxy)benzonitrile (CID 107276924) is 2-bromo-4-(2-methylphenoxy)benzonitrile.
What is the SMILES notation for 2-bromo-4-(2-methylphenoxy)benzonitrile?
The canonical SMILES for 2-bromo-4-(2-methylphenoxy)benzonitrile is Cc1ccccc1Oc1ccc(C#N)c(Br)c1.
What is the InChIKey of 2-bromo-4-(2-methylphenoxy)benzonitrile?
The InChIKey is OJEXHOPKRMPUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c1-10-4-2-3-5-14(10)17-12-7-6-11(9-16)13(15)8-12/h2-8H,1H3.
What are the key properties of 2-bromo-4-(2-methylphenoxy)benzonitrile?
2-bromo-4-(2-methylphenoxy)benzonitrile 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-bromo-4-(2-methylphenoxy)benzonitrile is sourced from PubChem (CID 107276924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).