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

C16H14ClNO — CID 102723978

IUPAC2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
SMILESCCc1ccc(COc2ccc(C#N)c(Cl)c2)cc1
InChIInChI=1S/C16H14ClNO/c1-2-12-3-5-13(6-4-12)11-19-15-8-7-14(10-18)16(17)9-15/h3-9H,2,11H2,1H3
InChIKeyITKOERZFLKNAKA-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.35
Rot. Bonds4

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

2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile (PubChem CID 102723978) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
PubChem CID102723978
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
SMILESCCc1ccc(COc2ccc(C#N)c(Cl)c2)cc1
InChIInChI=1S/C16H14ClNO/c1-2-12-3-5-13(6-4-12)11-19-15-8-7-14(10-18)16(17)9-15/h3-9H,2,11H2,1H3
InChIKeyITKOERZFLKNAKA-UHFFFAOYSA-N
XLogP4.35
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
CID 62945870
2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile
CID 102674498
2-chloro-4-[(3,5-difluorophenyl)methoxy]benzonitrile
CID 102724091
2-chloro-4-(2-ethylbutoxy)benzonitrile
CID 102724077
2-chloro-4-decoxybenzonitrile
CID 102724082
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
CID 102724027
2-chloro-4-(phenylmethoxymethoxy)benzonitrile
CID 102674690
2-chloro-4-(2-methylbutoxy)benzonitrile
CID 102674615
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
2-chloro-4-(2-hydroxyethoxy)benzonitrile
CID 62948337

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile (CID 102723978) is 2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile is CCc1ccc(COc2ccc(C#N)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile?
The InChIKey is ITKOERZFLKNAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-2-12-3-5-13(6-4-12)11-19-15-8-7-14(10-18)16(17)9-15/h3-9H,2,11H2,1H3.
What are the key properties of 2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile?
2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile has a molecular weight of 271.75 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile is sourced from PubChem (CID 102723978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).