2-(4-chloro-2-methylphenoxy)benzonitrile

C14H10ClNO — CID 29271397

IUPAC2-(4-chloro-2-methylphenoxy)benzonitrile
SMILESCc1cc(Cl)ccc1Oc1ccccc1C#N
InChIInChI=1S/C14H10ClNO/c1-10-8-12(15)6-7-13(10)17-14-5-3-2-4-11(14)9-16/h2-8H,1H3
InChIKeyYNTDPJWVBYRPMN-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.31
Rot. Bonds2

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

2-(4-chloro-2-methylphenoxy)benzonitrile (PubChem CID 29271397) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)benzonitrile
PubChem CID29271397
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name2-(4-chloro-2-methylphenoxy)benzonitrile
SMILESCc1cc(Cl)ccc1Oc1ccccc1C#N
InChIInChI=1S/C14H10ClNO/c1-10-8-12(15)6-7-13(10)17-14-5-3-2-4-11(14)9-16/h2-8H,1H3
InChIKeyYNTDPJWVBYRPMN-UHFFFAOYSA-N
XLogP4.31
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
2-(5-chloro-2-iodophenoxy)benzonitrile
CID 142659292
2-(2-cyanophenoxy)benzonitrile
CID 13435570
4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
CID 63511378
2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile
CID 62493170
5-chloro-2-(4-chloro-2,6-dimethylphenoxy)benzonitrile
CID 63510537
2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile
CID 83266847
4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile
CID 63083316
2-(4-amino-2,5-dimethylphenoxy)-4-chlorobenzonitrile
CID 55159990
5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 62493743
2-(4-chloro-2-methylphenoxy)benzaldehyde
CID 30054969
4-(2-chlorophenoxy)-3-methylbenzonitrile
CID 54934374

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)benzonitrile?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)benzonitrile (CID 29271397) is 2-(4-chloro-2-methylphenoxy)benzonitrile.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)benzonitrile?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)benzonitrile is Cc1cc(Cl)ccc1Oc1ccccc1C#N.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)benzonitrile?
The InChIKey is YNTDPJWVBYRPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c1-10-8-12(15)6-7-13(10)17-14-5-3-2-4-11(14)9-16/h2-8H,1H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)benzonitrile?
2-(4-chloro-2-methylphenoxy)benzonitrile has a molecular weight of 243.69 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)benzonitrile is sourced from PubChem (CID 29271397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).