2-[(3,5-dichlorophenoxy)methyl]benzonitrile

C14H9Cl2NO — CID 22688290

IUPAC2-[(3,5-dichlorophenoxy)methyl]benzonitrile
SMILESN#Cc1ccccc1COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2NO/c15-12-5-13(16)7-14(6-12)18-9-11-4-2-1-3-10(11)8-17/h1-7H,9H2
InChIKeyHDAKHRMVNVAAKG-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.44
Rot. Bonds3

About 2-[(3,5-dichlorophenoxy)methyl]benzonitrile

2-[(3,5-dichlorophenoxy)methyl]benzonitrile (PubChem CID 22688290) has the molecular formula C14H9Cl2NO and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(3,5-dichlorophenoxy)methyl]benzonitrile
PubChem CID22688290
Molecular FormulaC14H9Cl2NO
Molecular Weight278.14 g/mol
Exact Mass277.01
IUPAC Name2-[(3,5-dichlorophenoxy)methyl]benzonitrile
SMILESN#Cc1ccccc1COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2NO/c15-12-5-13(16)7-14(6-12)18-9-11-4-2-1-3-10(11)8-17/h1-7H,9H2
InChIKeyHDAKHRMVNVAAKG-UHFFFAOYSA-N
XLogP4.44
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
2-[(3-amino-4-chlorophenoxy)methyl]benzonitrile
CID 58022209
2-[(2,6-dichlorophenoxy)methyl]benzonitrile
CID 22688283
4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
CID 78952814
2-[(2-amino-4-chlorophenoxy)methyl]benzonitrile
CID 24704666
2-[(3-chloro-4-nitrophenoxy)methyl]benzonitrile
CID 47443114
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile
CID 60880021
2-[(3-methyl-4-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688246
3-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 8977260
2-[[3-(3-chloroprop-1-ynyl)-5-fluorophenoxy]methyl]benzonitrile
CID 81315158
2-[[3-(2-aminoethyl)phenoxy]methyl]benzonitrile
CID 54930897
2-[[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 107720579

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenoxy)methyl]benzonitrile?
The IUPAC name of 2-[(3,5-dichlorophenoxy)methyl]benzonitrile (CID 22688290) is 2-[(3,5-dichlorophenoxy)methyl]benzonitrile.
What is the SMILES notation for 2-[(3,5-dichlorophenoxy)methyl]benzonitrile?
The canonical SMILES for 2-[(3,5-dichlorophenoxy)methyl]benzonitrile is N#Cc1ccccc1COc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenoxy)methyl]benzonitrile?
The InChIKey is HDAKHRMVNVAAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO/c15-12-5-13(16)7-14(6-12)18-9-11-4-2-1-3-10(11)8-17/h1-7H,9H2.
What are the key properties of 2-[(3,5-dichlorophenoxy)methyl]benzonitrile?
2-[(3,5-dichlorophenoxy)methyl]benzonitrile has a molecular weight of 278.14 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenoxy)methyl]benzonitrile is sourced from PubChem (CID 22688290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).