2-(3,5-dimethylphenyl)-5-methylbenzonitrile

C16H15N — CID 91665753

IUPAC2-(3,5-dimethylphenyl)-5-methylbenzonitrile
SMILESCc1cc(C)cc(-c2ccc(C)cc2C#N)c1
InChIInChI=1S/C16H15N/c1-11-4-5-16(15(7-11)10-17)14-8-12(2)6-13(3)9-14/h4-9H,1-3H3
InChIKeySPMDHHYSXMAPOY-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.15
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-5-methylbenzonitrile

2-(3,5-dimethylphenyl)-5-methylbenzonitrile (PubChem CID 91665753) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-5-methylbenzonitrile
PubChem CID91665753
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2-(3,5-dimethylphenyl)-5-methylbenzonitrile
SMILESCc1cc(C)cc(-c2ccc(C)cc2C#N)c1
InChIInChI=1S/C16H15N/c1-11-4-5-16(15(7-11)10-17)14-8-12(2)6-13(3)9-14/h4-9H,1-3H3
InChIKeySPMDHHYSXMAPOY-UHFFFAOYSA-N
XLogP4.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 89010691
CID 89010691
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2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile
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CID 67523195
5,12,18-tris(4-methylphenyl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-tricarbonitrile
CID 168897078
2-[4-(2,3-dihydroindol-1-yl)phenyl]-5-methylbenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-5-methylbenzonitrile?
The IUPAC name of 2-(3,5-dimethylphenyl)-5-methylbenzonitrile (CID 91665753) is 2-(3,5-dimethylphenyl)-5-methylbenzonitrile.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-5-methylbenzonitrile?
The canonical SMILES for 2-(3,5-dimethylphenyl)-5-methylbenzonitrile is Cc1cc(C)cc(-c2ccc(C)cc2C#N)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-5-methylbenzonitrile?
The InChIKey is SPMDHHYSXMAPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-11-4-5-16(15(7-11)10-17)14-8-12(2)6-13(3)9-14/h4-9H,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-5-methylbenzonitrile?
2-(3,5-dimethylphenyl)-5-methylbenzonitrile has a molecular weight of 221.30 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-5-methylbenzonitrile is sourced from PubChem (CID 91665753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).