2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile

C17H17N — CID 82083442

IUPAC2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile
SMILESCC(C)c1ccc(-c2ccc(CC#N)cc2)cc1
InChIInChI=1S/C17H17N/c1-13(2)15-7-9-17(10-8-15)16-5-3-14(4-6-16)11-12-18/h3-10,13H,11H2,1-2H3
InChIKeyQMTYTGUDJQGIPR-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.54
Rot. Bonds3

About 2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile

2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile (PubChem CID 82083442) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile
PubChem CID82083442
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile
SMILESCC(C)c1ccc(-c2ccc(CC#N)cc2)cc1
InChIInChI=1S/C17H17N/c1-13(2)15-7-9-17(10-8-15)16-5-3-14(4-6-16)11-12-18/h3-10,13H,11H2,1-2H3
InChIKeyQMTYTGUDJQGIPR-UHFFFAOYSA-N
XLogP4.54
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[4-(2-hydroxypropyl)phenyl]phenyl]acetonitrile
CID 69279431
2-[4-(1-phenylethyl)phenyl]acetonitrile
CID 22408223
ethane;1-ethyl-4-(4-propan-2-ylphenyl)benzene
CID 143715376
2-[4-(cyanomethyl)phenyl]propanoic acid
CID 66893390
2-(4-bromophenyl)acetonitrile;2-(4-bromophenyl)propanenitrile
CID 159482863
2-[4-[1-(4-chlorophenyl)ethylamino]phenyl]acetonitrile
CID 43722208
1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene
CID 164757723
2-(4-propan-2-ylsulfonylphenyl)acetonitrile
CID 82473214
2-[4-(diethoxymethyl)phenyl]acetonitrile
CID 170886209
[4-[4-(cyanomethyl)phenyl]phenyl]boronic acid
CID 163815966
2-[4-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 25184588
ethane;2-(4-ethylphenyl)acetonitrile
CID 143828452

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile (CID 82083442) is 2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile is CC(C)c1ccc(-c2ccc(CC#N)cc2)cc1.
What is the InChIKey of 2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile?
The InChIKey is QMTYTGUDJQGIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-13(2)15-7-9-17(10-8-15)16-5-3-14(4-6-16)11-12-18/h3-10,13H,11H2,1-2H3.
What are the key properties of 2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile?
2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile has a molecular weight of 235.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile is sourced from PubChem (CID 82083442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).