2-(2,5-dimethylphenoxy)-4-methylbenzonitrile

C16H15NO — CID 63511560

IUPAC2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
SMILESCc1ccc(C)c(Oc2cc(C)ccc2C#N)c1
InChIInChI=1S/C16H15NO/c1-11-4-6-13(3)15(8-11)18-16-9-12(2)5-7-14(16)10-17/h4-9H,1-3H3
InChIKeyMATZJSUGNXMMEQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP4.28
Rot. Bonds2

About 2-(2,5-dimethylphenoxy)-4-methylbenzonitrile

2-(2,5-dimethylphenoxy)-4-methylbenzonitrile (PubChem CID 63511560) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
PubChem CID63511560
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
SMILESCc1ccc(C)c(Oc2cc(C)ccc2C#N)c1
InChIInChI=1S/C16H15NO/c1-11-4-6-13(3)15(8-11)18-16-9-12(2)5-7-14(16)10-17/h4-9H,1-3H3
InChIKeyMATZJSUGNXMMEQ-UHFFFAOYSA-N
XLogP4.28
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylphenoxy)-4-methylbenzonitrile
CID 63512756
2-(2,5-dimethylphenoxy)-5-formylbenzonitrile
CID 114063341
4-(2,5-dimethylphenoxy)naphthalene-1-carbonitrile;propane
CID 145267272
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
CID 107928144
2-(2,4-difluorophenoxy)-4-methylbenzonitrile
CID 62303313
2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile
CID 62303478
2-(2-tert-butylphenoxy)-4-methylbenzonitrile
CID 63510539
2-(4-chloronaphthalen-1-yl)oxy-4-methylbenzonitrile
CID 63514488
2-(5-amino-2-methylphenoxy)-4-bromobenzonitrile
CID 114905355
2-(2-tert-butyl-5-methylphenoxy)-4-chlorobenzonitrile
CID 63513427
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-4-methylbenzonitrile?
The IUPAC name of 2-(2,5-dimethylphenoxy)-4-methylbenzonitrile (CID 63511560) is 2-(2,5-dimethylphenoxy)-4-methylbenzonitrile.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-4-methylbenzonitrile?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-4-methylbenzonitrile is Cc1ccc(C)c(Oc2cc(C)ccc2C#N)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-4-methylbenzonitrile?
The InChIKey is MATZJSUGNXMMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11-4-6-13(3)15(8-11)18-16-9-12(2)5-7-14(16)10-17/h4-9H,1-3H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-4-methylbenzonitrile?
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile has a molecular weight of 237.30 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-4-methylbenzonitrile is sourced from PubChem (CID 63511560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).