2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile

C15H12ClNO — CID 107928144

IUPAC2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
SMILESCc1ccc(Oc2cc(C)ccc2Cl)c(C#N)c1
InChIInChI=1S/C15H12ClNO/c1-10-4-6-14(12(7-10)9-17)18-15-8-11(2)3-5-13(15)16/h3-8H,1-2H3
InChIKeyRFMWKRYKKWYFDZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.62
Rot. Bonds2

About 2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile

2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile (PubChem CID 107928144) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
PubChem CID107928144
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
SMILESCc1ccc(Oc2cc(C)ccc2Cl)c(C#N)c1
InChIInChI=1S/C15H12ClNO/c1-10-4-6-14(12(7-10)9-17)18-15-8-11(2)3-5-13(15)16/h3-8H,1-2H3
InChIKeyRFMWKRYKKWYFDZ-UHFFFAOYSA-N
XLogP4.62
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-(2-chloro-4-methylphenoxy)benzonitrile
CID 62670401
2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile
CID 55232518
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070
2-(4-chloronaphthalen-1-yl)oxy-4-methylbenzonitrile
CID 63514488
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560
4-(2-chloro-5-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43364396
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
5-methyl-2-(5-methyl-2-nitrophenoxy)benzonitrile
CID 107928162
2-(4-fluoro-2-methylphenoxy)-5-methylbenzonitrile
CID 114017002
5-methyl-2-[(2-methylpropan-2-yl)oxy]benzonitrile
CID 107928120
5-methyl-2-(3-methylphenoxy)benzonitrile
CID 107928086

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile (CID 107928144) is 2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile is Cc1ccc(Oc2cc(C)ccc2Cl)c(C#N)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile?
The InChIKey is RFMWKRYKKWYFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-10-4-6-14(12(7-10)9-17)18-15-8-11(2)3-5-13(15)16/h3-8H,1-2H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile?
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile has a molecular weight of 257.72 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile is sourced from PubChem (CID 107928144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).