2-(3-methoxyphenyl)-3-methylbenzonitrile

C15H13NO — CID 172915337

IUPAC2-(3-methoxyphenyl)-3-methylbenzonitrile
SMILESCOc1cccc(-c2c(C)cccc2C#N)c1
InChIInChI=1S/C15H13NO/c1-11-5-3-7-13(10-16)15(11)12-6-4-8-14(9-12)17-2/h3-9H,1-2H3
InChIKeyFSGPWNPTQRIKRW-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.54
Rot. Bonds2

About 2-(3-methoxyphenyl)-3-methylbenzonitrile

2-(3-methoxyphenyl)-3-methylbenzonitrile (PubChem CID 172915337) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-methylbenzonitrile.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-methylbenzonitrile
PubChem CID172915337
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name2-(3-methoxyphenyl)-3-methylbenzonitrile
SMILESCOc1cccc(-c2c(C)cccc2C#N)c1
InChIInChI=1S/C15H13NO/c1-11-5-3-7-13(10-16)15(11)12-6-4-8-14(9-12)17-2/h3-9H,1-2H3
InChIKeyFSGPWNPTQRIKRW-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-methyl-2-(3-methylphenyl)benzonitrile
CID 172915333
2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile
CID 171919375
4-fluoro-2-(3-methoxyphenyl)-5-methylbenzonitrile
CID 172914645
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
5-amino-2-(3-methoxyphenyl)benzonitrile
CID 171663277
3-(3-methoxyphenyl)benzonitrile
CID 4189594
4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 82114912
4-amino-2-fluoro-5-(3-methoxyphenyl)benzonitrile
CID 168654720
2-amino-4-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635461
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
3-methoxy-4-(3-methoxyphenyl)-5-methylbenzoic acid
CID 54308818

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-methylbenzonitrile?
The IUPAC name of 2-(3-methoxyphenyl)-3-methylbenzonitrile (CID 172915337) is 2-(3-methoxyphenyl)-3-methylbenzonitrile.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-methylbenzonitrile?
The canonical SMILES for 2-(3-methoxyphenyl)-3-methylbenzonitrile is COc1cccc(-c2c(C)cccc2C#N)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-methylbenzonitrile?
The InChIKey is FSGPWNPTQRIKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-11-5-3-7-13(10-16)15(11)12-6-4-8-14(9-12)17-2/h3-9H,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-3-methylbenzonitrile?
2-(3-methoxyphenyl)-3-methylbenzonitrile 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-(3-methoxyphenyl)-3-methylbenzonitrile is sourced from PubChem (CID 172915337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).