5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile

C15H12ClNO — CID 150348416

IUPAC5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile
SMILESCc1ccccc1OCc1ccc(Cl)cc1C#N
InChIInChI=1S/C15H12ClNO/c1-11-4-2-3-5-15(11)18-10-12-6-7-14(16)8-13(12)9-17/h2-8H,10H2,1H3
InChIKeyGTFGPMOQVWTDLS-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.10
Rot. Bonds3

About 5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile

5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile (PubChem CID 150348416) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile
PubChem CID150348416
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile
SMILESCc1ccccc1OCc1ccc(Cl)cc1C#N
InChIInChI=1S/C15H12ClNO/c1-11-4-2-3-5-15(11)18-10-12-6-7-14(16)8-13(12)9-17/h2-8H,10H2,1H3
InChIKeyGTFGPMOQVWTDLS-UHFFFAOYSA-N
XLogP4.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 22682440
5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile
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2-[(2-amino-4-chlorophenoxy)methyl]benzonitrile
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4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzonitrile
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2-[[2-[2-(2-methylphenyl)ethynyl]phenyl]methoxy]benzonitrile
CID 122386147
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile
CID 60880021
5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117175045
5-[(5-chloro-2-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 114012400
2-(2-amino-3-methylphenoxy)-5-chlorobenzonitrile
CID 62493170
4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
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2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile?
The IUPAC name of 5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile (CID 150348416) is 5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile.
What is the SMILES notation for 5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile?
The canonical SMILES for 5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile is Cc1ccccc1OCc1ccc(Cl)cc1C#N.
What is the InChIKey of 5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile?
The InChIKey is GTFGPMOQVWTDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-11-4-2-3-5-15(11)18-10-12-6-7-14(16)8-13(12)9-17/h2-8H,10H2,1H3.
What are the key properties of 5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile?
5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile has a molecular weight of 257.72 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile is sourced from PubChem (CID 150348416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).