3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile

C15H15NO2 — CID 82084685

IUPAC3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile
SMILESCOc1ccc(C(C#N)Cc2ccco2)cc1C
InChIInChI=1S/C15H15NO2/c1-11-8-12(5-6-15(11)17-2)13(10-16)9-14-4-3-7-18-14/h3-8,13H,9H2,1-2H3
InChIKeyWJIBZASJDDIMAF-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.45
Rot. Bonds4

About 3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile

3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile (PubChem CID 82084685) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile
PubChem CID82084685
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile
SMILESCOc1ccc(C(C#N)Cc2ccco2)cc1C
InChIInChI=1S/C15H15NO2/c1-11-8-12(5-6-15(11)17-2)13(10-16)9-14-4-3-7-18-14/h3-8,13H,9H2,1-2H3
InChIKeyWJIBZASJDDIMAF-UHFFFAOYSA-N
XLogP3.45
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(furan-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine
CID 83183271
2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile
CID 82091793
2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313778
N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline
CID 61059640
[1-(3,4-dimethoxyphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105192204
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 83175883
2-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105029210
2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 103376060
2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile
CID 82092833
2-(furan-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791252
2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62587499
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile?
The IUPAC name of 3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile (CID 82084685) is 3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile.
What is the SMILES notation for 3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile?
The canonical SMILES for 3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile is COc1ccc(C(C#N)Cc2ccco2)cc1C.
What is the InChIKey of 3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile?
The InChIKey is WJIBZASJDDIMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-8-12(5-6-15(11)17-2)13(10-16)9-14-4-3-7-18-14/h3-8,13H,9H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile?
3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile has a molecular weight of 241.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile is sourced from PubChem (CID 82084685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).