3-(2-methoxy-5-methylphenyl)benzonitrile

C15H13NO — CID 39245698

IUPAC3-(2-methoxy-5-methylphenyl)benzonitrile
SMILESCOc1ccc(C)cc1-c1cccc(C#N)c1
InChIInChI=1S/C15H13NO/c1-11-6-7-15(17-2)14(8-11)13-5-3-4-12(9-13)10-16/h3-9H,1-2H3
InChIKeyYNNWEPUEXOEXRN-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.54
Rot. Bonds2

About 3-(2-methoxy-5-methylphenyl)benzonitrile

3-(2-methoxy-5-methylphenyl)benzonitrile (PubChem CID 39245698) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)benzonitrile.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)benzonitrile
PubChem CID39245698
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name3-(2-methoxy-5-methylphenyl)benzonitrile
SMILESCOc1ccc(C)cc1-c1cccc(C#N)c1
InChIInChI=1S/C15H13NO/c1-11-6-7-15(17-2)14(8-11)13-5-3-4-12(9-13)10-16/h3-9H,1-2H3
InChIKeyYNNWEPUEXOEXRN-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

3-(2-chloro-5-methylphenyl)benzonitrile
CID 70699759
3-(2-methoxy-5-methylphenyl)phenol
CID 39243395
3-[3-(ethylaminomethyl)phenyl]-4-methoxybenzonitrile
CID 106951070
2-(3-cyanophenyl)-5-methylbenzoic acid
CID 53225050
3-(3-methoxyphenyl)benzonitrile
CID 4189594
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
3-[(2-methoxy-5-methylphenyl)methylamino]benzonitrile
CID 43408626
3-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]benzonitrile
CID 51224116
3-(5,6-dimethoxy-3-pyridinyl)benzonitrile
CID 90046523
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
CID 13360661
3-[2-cyano-2-(2-methoxy-5-methylphenyl)ethyl]benzonitrile
CID 82140953
3-[2-(ethylaminomethyl)-5-methylphenyl]-4-methoxybenzonitrile
CID 106951073

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)benzonitrile?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)benzonitrile (CID 39245698) is 3-(2-methoxy-5-methylphenyl)benzonitrile.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)benzonitrile?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)benzonitrile is COc1ccc(C)cc1-c1cccc(C#N)c1.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)benzonitrile?
The InChIKey is YNNWEPUEXOEXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-11-6-7-15(17-2)14(8-11)13-5-3-4-12(9-13)10-16/h3-9H,1-2H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)benzonitrile?
3-(2-methoxy-5-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 3-(2-methoxy-5-methylphenyl)benzonitrile is sourced from PubChem (CID 39245698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).