2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile

C18H19NO — CID 82091776

IUPAC2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile
SMILESCCOc1ccc(-c2ccc(C(C)(C)C#N)cc2)cc1
InChIInChI=1S/C18H19NO/c1-4-20-17-11-7-15(8-12-17)14-5-9-16(10-6-14)18(2,3)13-19/h5-12H,4H2,1-3H3
InChIKeyHRSRQEOQIUAJNI-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.55
Rot. Bonds4

About 2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile

2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile (PubChem CID 82091776) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile
PubChem CID82091776
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile
SMILESCCOc1ccc(-c2ccc(C(C)(C)C#N)cc2)cc1
InChIInChI=1S/C18H19NO/c1-4-20-17-11-7-15(8-12-17)14-5-9-16(10-6-14)18(2,3)13-19/h5-12H,4H2,1-3H3
InChIKeyHRSRQEOQIUAJNI-UHFFFAOYSA-N
XLogP4.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Etofenprox
CID 71245
4-Benzyloxybenzonitrile
CID 561371
4'-(Pentyloxy)(1,1'-biphenyl)-4-carbonitrile
CID 104171
(1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-
CID 104172
(1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy-
CID 104291
(1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-
CID 104292
1,3-Bis(4-cyanophenyl)propane
CID 70872
[1,1'-Biphenyl]-4-carbonitrile, 4'-methoxy-
CID 93892
[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-
CID 104173
(1,1'-Biphenyl)-4-carbonitrile, 4'-(hexyloxy)-
CID 162465
4-Phenoxyphthalonitrile
CID 371800
Oxirane, 2-((4-(1-methyl-1-phenylethyl)phenoxy)methyl)-
CID 62186

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile (CID 82091776) is 2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile is CCOc1ccc(-c2ccc(C(C)(C)C#N)cc2)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile?
The InChIKey is HRSRQEOQIUAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-4-20-17-11-7-15(8-12-17)14-5-9-16(10-6-14)18(2,3)13-19/h5-12H,4H2,1-3H3.
What are the key properties of 2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile?
2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile has a molecular weight of 265.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 82091776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).