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

C15H9ClN2O — CID 80708494

IUPAC4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(COc2cc(Cl)ccc2C#N)cc1
InChIInChI=1S/C15H9ClN2O/c16-14-6-5-13(9-18)15(7-14)19-10-12-3-1-11(8-17)2-4-12/h1-7H,10H2
InChIKeyRNKPRMFFEHRIIC-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.66
Rot. Bonds3

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

4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile (PubChem CID 80708494) has the molecular formula C15H9ClN2O and a molecular weight of 268.70 g/mol. Its IUPAC name is 4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
PubChem CID80708494
Molecular FormulaC15H9ClN2O
Molecular Weight268.70 g/mol
Exact Mass268.04
IUPAC Name4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(COc2cc(Cl)ccc2C#N)cc1
InChIInChI=1S/C15H9ClN2O/c16-14-6-5-13(9-18)15(7-14)19-10-12-3-1-11(8-17)2-4-12/h1-7H,10H2
InChIKeyRNKPRMFFEHRIIC-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

4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile
CID 113277305
4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
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2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
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4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzonitrile
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5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
2-[4-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 105345008
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzonitrile
CID 114322735
4-chloro-2-[(4-cyanophenyl)methoxy]benzamide
CID 47467976
4-chloro-2-(chloromethoxy)benzonitrile
CID 130564109
4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 114322743
4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzonitrile
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4-chloro-2-ethoxybenzonitrile
CID 22721189

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile?
The IUPAC name of 4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile (CID 80708494) is 4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile?
The canonical SMILES for 4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile is N#Cc1ccc(COc2cc(Cl)ccc2C#N)cc1.
What is the InChIKey of 4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile?
The InChIKey is RNKPRMFFEHRIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O/c16-14-6-5-13(9-18)15(7-14)19-10-12-3-1-11(8-17)2-4-12/h1-7H,10H2.
What are the key properties of 4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile?
4-chloro-2-[(4-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 4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile is sourced from PubChem (CID 80708494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).