4-chloro-2-(2,3-dimethylphenoxy)benzonitrile

C15H12ClNO — CID 63511378

IUPAC4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
SMILESCc1cccc(Oc2cc(Cl)ccc2C#N)c1C
InChIInChI=1S/C15H12ClNO/c1-10-4-3-5-14(11(10)2)18-15-8-13(16)7-6-12(15)9-17/h3-8H,1-2H3
InChIKeyFOCZCNIKEYSMQX-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.62
Rot. Bonds2

About 4-chloro-2-(2,3-dimethylphenoxy)benzonitrile

4-chloro-2-(2,3-dimethylphenoxy)benzonitrile (PubChem CID 63511378) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dimethylphenoxy)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
PubChem CID63511378
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
SMILESCc1cccc(Oc2cc(Cl)ccc2C#N)c1C
InChIInChI=1S/C15H12ClNO/c1-10-4-3-5-14(11(10)2)18-15-8-13(16)7-6-12(15)9-17/h3-8H,1-2H3
InChIKeyFOCZCNIKEYSMQX-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

4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile
CID 63083316
2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile
CID 62493170
2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846944
4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 63094434
1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene
CID 107086769
2-(4-amino-2,5-dimethylphenoxy)-4-chlorobenzonitrile
CID 55159990
1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846945
2-(2,4-dichlorophenoxy)-6-methylbenzonitrile
CID 21429560
2-bromo-4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile
CID 107534253
4-chloro-2-(2,3-dimethylphenoxy)benzenecarbothioamide
CID 63518061
4-chloro-2-phenoxybenzonitrile
CID 63093062

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dimethylphenoxy)benzonitrile?
The IUPAC name of 4-chloro-2-(2,3-dimethylphenoxy)benzonitrile (CID 63511378) is 4-chloro-2-(2,3-dimethylphenoxy)benzonitrile.
What is the SMILES notation for 4-chloro-2-(2,3-dimethylphenoxy)benzonitrile?
The canonical SMILES for 4-chloro-2-(2,3-dimethylphenoxy)benzonitrile is Cc1cccc(Oc2cc(Cl)ccc2C#N)c1C.
What is the InChIKey of 4-chloro-2-(2,3-dimethylphenoxy)benzonitrile?
The InChIKey is FOCZCNIKEYSMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-10-4-3-5-14(11(10)2)18-15-8-13(16)7-6-12(15)9-17/h3-8H,1-2H3.
What are the key properties of 4-chloro-2-(2,3-dimethylphenoxy)benzonitrile?
4-chloro-2-(2,3-dimethylphenoxy)benzonitrile 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 4-chloro-2-(2,3-dimethylphenoxy)benzonitrile is sourced from PubChem (CID 63511378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).