2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile

C16H14ClNO — CID 114322559

IUPAC2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile
SMILESCCc1ccc(COc2cccc(Cl)c2C#N)cc1
InChIInChI=1S/C16H14ClNO/c1-2-12-6-8-13(9-7-12)11-19-16-5-3-4-15(17)14(16)10-18/h3-9H,2,11H2,1H3
InChIKeyOVNIODMBRXQIFE-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.35
Rot. Bonds4

About 2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile

2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile (PubChem CID 114322559) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile
PubChem CID114322559
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile
SMILESCCc1ccc(COc2cccc(Cl)c2C#N)cc1
InChIInChI=1S/C16H14ClNO/c1-2-12-6-8-13(9-7-12)11-19-16-5-3-4-15(17)14(16)10-18/h3-9H,2,11H2,1H3
InChIKeyOVNIODMBRXQIFE-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-6-hexoxybenzonitrile
CID 63513082
2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile
CID 102616082
2-chloro-6-(3-ethoxypropoxy)benzonitrile
CID 79032993
2-chloro-6-(2-chloroethoxy)benzonitrile
CID 130564225
2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile
CID 113277263
2-chloro-6-pentan-3-yloxybenzonitrile
CID 114322513
2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile
CID 64573225
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
2-butoxy-6-phenylmethoxybenzonitrile
CID 90930969
2-[(5-bromofuran-2-yl)methoxy]-6-chlorobenzonitrile
CID 113277248
ethyl 2-(3-chloro-2-cyanophenoxy)acetate
CID 79035534
2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzonitrile
CID 79032659

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile?
The IUPAC name of 2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile (CID 114322559) is 2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile?
The canonical SMILES for 2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile is CCc1ccc(COc2cccc(Cl)c2C#N)cc1.
What is the InChIKey of 2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile?
The InChIKey is OVNIODMBRXQIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-2-12-6-8-13(9-7-12)11-19-16-5-3-4-15(17)14(16)10-18/h3-9H,2,11H2,1H3.
What are the key properties of 2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile?
2-chloro-6-[(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-6-[(4-ethylphenyl)methoxy]benzonitrile is sourced from PubChem (CID 114322559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).