4-ethyl-3-methyl-2-phenylbenzonitrile

C16H15N — CID 98010488

IUPAC4-ethyl-3-methyl-2-phenylbenzonitrile
SMILESCCc1ccc(C#N)c(-c2ccccc2)c1C
InChIInChI=1S/C16H15N/c1-3-13-9-10-15(11-17)16(12(13)2)14-7-5-4-6-8-14/h4-10H,3H2,1-2H3
InChIKeyWAFUYCDHBAGNNG-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.10
Rot. Bonds2

About 4-ethyl-3-methyl-2-phenylbenzonitrile

4-ethyl-3-methyl-2-phenylbenzonitrile (PubChem CID 98010488) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-ethyl-3-methyl-2-phenylbenzonitrile.

Molecular Properties

Compound Name4-ethyl-3-methyl-2-phenylbenzonitrile
PubChem CID98010488
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name4-ethyl-3-methyl-2-phenylbenzonitrile
SMILESCCc1ccc(C#N)c(-c2ccccc2)c1C
InChIInChI=1S/C16H15N/c1-3-13-9-10-15(11-17)16(12(13)2)14-7-5-4-6-8-14/h4-10H,3H2,1-2H3
InChIKeyWAFUYCDHBAGNNG-UHFFFAOYSA-N
XLogP4.10
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
diethyl butanedioate;2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765817
3-cyano-6-ethyl-2-methylbenzoic acid
CID 130951339
4-methyl-2-phenylbenzene-1,3-dicarbonitrile
CID 90016382
4-(3-ethyl-2-methyl-6-phenylphenyl)phenol
CID 139603227
1-ethyl-2,4-dimethyl-3,5-diphenylbenzene
CID 173306034
4-hydroxy-2,3-diphenylbenzonitrile
CID 162768355
3-fluoro-2-phenylbenzonitrile
CID 46314737
2-ethyl-4-methylbenzonitrile;methane;propane;toluene
CID 159408575
2,3,4-triethylbenzonitrile
CID 22750758
1-phenylanthracene-2-carbonitrile
CID 175261517
4-cyano-3-phenylphthalic acid
CID 151383359

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-2-phenylbenzonitrile?
The IUPAC name of 4-ethyl-3-methyl-2-phenylbenzonitrile (CID 98010488) is 4-ethyl-3-methyl-2-phenylbenzonitrile.
What is the SMILES notation for 4-ethyl-3-methyl-2-phenylbenzonitrile?
The canonical SMILES for 4-ethyl-3-methyl-2-phenylbenzonitrile is CCc1ccc(C#N)c(-c2ccccc2)c1C.
What is the InChIKey of 4-ethyl-3-methyl-2-phenylbenzonitrile?
The InChIKey is WAFUYCDHBAGNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-3-13-9-10-15(11-17)16(12(13)2)14-7-5-4-6-8-14/h4-10H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-methyl-2-phenylbenzonitrile?
4-ethyl-3-methyl-2-phenylbenzonitrile has a molecular weight of 221.30 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-2-phenylbenzonitrile is sourced from PubChem (CID 98010488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).