2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile

C19H21NO2 — CID 82140756

IUPAC2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile
SMILESCCc1cc(C(C#N)Cc2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C19H21NO2/c1-4-15-12-16(7-10-19(15)22-3)17(13-20)11-14-5-8-18(21-2)9-6-14/h5-10,12,17H,4,11H2,1-3H3
InChIKeyXCFPXKWDFRUNCS-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.12
Rot. Bonds6

About 2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile

2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile (PubChem CID 82140756) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile
PubChem CID82140756
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile
SMILESCCc1cc(C(C#N)Cc2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C19H21NO2/c1-4-15-12-16(7-10-19(15)22-3)17(13-20)11-14-5-8-18(21-2)9-6-14/h5-10,12,17H,4,11H2,1-3H3
InChIKeyXCFPXKWDFRUNCS-UHFFFAOYSA-N
XLogP4.12
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-3-(3-ethyl-4-methoxyphenyl)propanenitrile
CID 82141675
2-(3-ethyl-4-methoxyphenyl)-4-phenylbutanenitrile
CID 82137906
4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile
CID 112508618
3-(4-methoxyphenyl)-2-(4-nitrophenyl)propanenitrile
CID 71721505
2-(3-chloro-4-methoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propanenitrile
CID 82141551
3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile
CID 82141674
2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile
CID 82140744
2-[(3-ethyl-4-methoxyphenyl)methyl]butanenitrile
CID 116931524
2-(3-ethyl-4-methoxyphenyl)-3-oxopropanenitrile
CID 82112546
2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile
CID 82092833
2-cyano-2-(3-ethyl-4-methoxyphenyl)acetic acid
CID 82114135
2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile
CID 82140750

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile?
The IUPAC name of 2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile (CID 82140756) is 2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile is CCc1cc(C(C#N)Cc2ccc(OC)cc2)ccc1OC.
What is the InChIKey of 2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile?
The InChIKey is XCFPXKWDFRUNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-15-12-16(7-10-19(15)22-3)17(13-20)11-14-5-8-18(21-2)9-6-14/h5-10,12,17H,4,11H2,1-3H3.
What are the key properties of 2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile?
2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile has a molecular weight of 295.38 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile is sourced from PubChem (CID 82140756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).