2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile

C16H12N2O2 — CID 62303478

IUPAC2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile
SMILESCOc1cc(C#N)ccc1Oc1cc(C)ccc1C#N
InChIInChI=1S/C16H12N2O2/c1-11-3-5-13(10-18)15(7-11)20-14-6-4-12(9-17)8-16(14)19-2/h3-8H,1-2H3
InChIKeyZUTNSBJEPHGHRQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.54
Rot. Bonds3

About 2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile

2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile (PubChem CID 62303478) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile
PubChem CID62303478
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile
SMILESCOc1cc(C#N)ccc1Oc1cc(C)ccc1C#N
InChIInChI=1S/C16H12N2O2/c1-11-3-5-13(10-18)15(7-11)20-14-6-4-12(9-17)8-16(14)19-2/h3-8H,1-2H3
InChIKeyZUTNSBJEPHGHRQ-UHFFFAOYSA-N
XLogP3.54
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(2,4-dimethylphenoxy)benzonitrile;3-chloro-4-(2-methoxy-5-methylphenoxy)benzonitrile
CID 69464154
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560
2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile
CID 107928298
4-(2-chloro-4-nitrophenoxy)-3-methoxybenzonitrile
CID 9195338
3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile
CID 11644815
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
CID 107928144
2-(4-bromo-2-methylphenoxy)-4-methylbenzonitrile
CID 63512756
2-(2,4-difluorophenoxy)-4-methylbenzonitrile
CID 62303313
2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile
CID 60701774
3-bromo-4-(2-bromo-4-methylphenoxy)benzonitrile
CID 82798072
2-(4-chloronaphthalen-1-yl)oxy-4-methylbenzonitrile
CID 63514488
3-methoxy-4-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 102749502

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile (CID 62303478) is 2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile is COc1cc(C#N)ccc1Oc1cc(C)ccc1C#N.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile?
The InChIKey is ZUTNSBJEPHGHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-11-3-5-13(10-18)15(7-11)20-14-6-4-12(9-17)8-16(14)19-2/h3-8H,1-2H3.
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile?
2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile has a molecular weight of 264.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile is sourced from PubChem (CID 62303478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).