2-(2-methoxy-4-methylphenyl)benzonitrile

C15H13NO — CID 19389898

IUPAC2-(2-methoxy-4-methylphenyl)benzonitrile
SMILESCOc1cc(C)ccc1-c1ccccc1C#N
InChIInChI=1S/C15H13NO/c1-11-7-8-14(15(9-11)17-2)13-6-4-3-5-12(13)10-16/h3-9H,1-2H3
InChIKeyNHOHTZOMMRGLFK-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.54
Rot. Bonds2

About 2-(2-methoxy-4-methylphenyl)benzonitrile

2-(2-methoxy-4-methylphenyl)benzonitrile (PubChem CID 19389898) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenyl)benzonitrile
PubChem CID19389898
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name2-(2-methoxy-4-methylphenyl)benzonitrile
SMILESCOc1cc(C)ccc1-c1ccccc1C#N
InChIInChI=1S/C15H13NO/c1-11-7-8-14(15(9-11)17-2)13-6-4-3-5-12(13)10-16/h3-9H,1-2H3
InChIKeyNHOHTZOMMRGLFK-UHFFFAOYSA-N
XLogP3.54
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2-methoxy-4-methylbenzene
CID 171366737
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567
4,5-difluoro-2-(2-methoxyphenyl)benzonitrile
CID 172648926
2-ethynyl-3-(2-methoxyphenyl)benzonitrile
CID 87527012
2-(2-amino-5-methylphenoxy)benzonitrile
CID 43363961
2-(2-cyano-4-methylanilino)-3-methoxybenzonitrile
CID 107927968
2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile
CID 67529038
4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
CID 15889206
1-(2-methoxy-4-methylphenyl)-3-methyl-5-phenylbenzene
CID 20766185
2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile
CID 62303478
3-methoxy-5-methyl-2-sulfanylbenzonitrile
CID 171027051
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenyl)benzonitrile?
The IUPAC name of 2-(2-methoxy-4-methylphenyl)benzonitrile (CID 19389898) is 2-(2-methoxy-4-methylphenyl)benzonitrile.
What is the SMILES notation for 2-(2-methoxy-4-methylphenyl)benzonitrile?
The canonical SMILES for 2-(2-methoxy-4-methylphenyl)benzonitrile is COc1cc(C)ccc1-c1ccccc1C#N.
What is the InChIKey of 2-(2-methoxy-4-methylphenyl)benzonitrile?
The InChIKey is NHOHTZOMMRGLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-11-7-8-14(15(9-11)17-2)13-6-4-3-5-12(13)10-16/h3-9H,1-2H3.
What are the key properties of 2-(2-methoxy-4-methylphenyl)benzonitrile?
2-(2-methoxy-4-methylphenyl)benzonitrile has a molecular weight of 223.27 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenyl)benzonitrile is sourced from PubChem (CID 19389898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).