2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile

C15H9ClN2O — CID 102674643

IUPAC2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccccc2C#N)cc1Cl
InChIInChI=1S/C15H9ClN2O/c16-15-7-14(6-5-12(15)9-18)19-10-13-4-2-1-3-11(13)8-17/h1-7H,10H2
InChIKeyDAWHAYSPPCNYQY-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.66
Rot. Bonds3

About 2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile

2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile (PubChem CID 102674643) has the molecular formula C15H9ClN2O and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
PubChem CID102674643
Molecular FormulaC15H9ClN2O
Molecular Weight268.70 g/mol
Exact Mass268.04
IUPAC Name2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccccc2C#N)cc1Cl
InChIInChI=1S/C15H9ClN2O/c16-15-7-14(6-5-12(15)9-18)19-10-13-4-2-1-3-11(13)8-17/h1-7H,10H2
InChIKeyDAWHAYSPPCNYQY-UHFFFAOYSA-N
XLogP3.66
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-chloro-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 102723934
2-[(3-amino-4-chlorophenoxy)methyl]benzonitrile
CID 58022209
2-[(3-chloro-4-nitrophenoxy)methyl]benzonitrile
CID 47443114
4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
CID 78952814
2-[(3,5-dichlorophenoxy)methyl]benzonitrile
CID 22688290
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
CID 102724027
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
2-[(2,6-dichlorophenoxy)methyl]benzonitrile
CID 22688283
2-chloro-4-(phenylmethoxymethoxy)benzonitrile
CID 102674690
2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile
CID 102724091
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
CID 62945870

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile (CID 102674643) is 2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2ccccc2C#N)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile?
The InChIKey is DAWHAYSPPCNYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O/c16-15-7-14(6-5-12(15)9-18)19-10-13-4-2-1-3-11(13)8-17/h1-7H,10H2.
What are the key properties of 2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile?
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile has a molecular weight of 268.70 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile is sourced from PubChem (CID 102674643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).