2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile

C20H23NO — CID 82137348

IUPAC2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
SMILESCc1ccccc1C(C#N)CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C20H23NO/c1-15(2)17-8-10-19(11-9-17)22-13-12-18(14-21)20-7-5-4-6-16(20)3/h4-11,15,18H,12-13H2,1-3H3
InChIKeyVXIKZPNDALVFAW-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.19
Rot. Bonds6

About 2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile

2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile (PubChem CID 82137348) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
PubChem CID82137348
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
SMILESCc1ccccc1C(C#N)CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C20H23NO/c1-15(2)17-8-10-19(11-9-17)22-13-12-18(14-21)20-7-5-4-6-16(20)3/h4-11,15,18H,12-13H2,1-3H3
InChIKeyVXIKZPNDALVFAW-UHFFFAOYSA-N
XLogP5.19
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile
CID 82137294
2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
CID 82137277
4-(3,4-difluorophenoxy)-2-(2-methylphenyl)butanenitrile
CID 82137344
2-(2-chlorophenyl)-4-(2,6-dimethylphenoxy)butanenitrile
CID 82137092
6-(3-methylphenoxy)-2-(2-methylphenyl)hexanenitrile
CID 82137305
5-(3-methoxyphenoxy)-2-(2-methylphenyl)pentanenitrile
CID 82137321
1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 43108631
4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137685
2-(2,5-dimethylphenyl)-5-phenoxypentanenitrile
CID 82137856
5-(4-chlorophenoxy)-2-(2-fluorophenyl)pentanenitrile
CID 82137230
(2S)-3-methyl-2-(2-methylphenyl)butanenitrile
CID 92978892
2-(4-methoxyphenyl)-5-phenoxypentanenitrile
CID 82137631

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile?
The IUPAC name of 2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile (CID 82137348) is 2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile.
What is the SMILES notation for 2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile?
The canonical SMILES for 2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile is Cc1ccccc1C(C#N)CCOc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile?
The InChIKey is VXIKZPNDALVFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-15(2)17-8-10-19(11-9-17)22-13-12-18(14-21)20-7-5-4-6-16(20)3/h4-11,15,18H,12-13H2,1-3H3.
What are the key properties of 2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile?
2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile has a molecular weight of 293.41 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile is sourced from PubChem (CID 82137348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).