(E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile

C19H19NO2 — CID 102248897

IUPAC(E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
SMILESCCc1c(OC)cccc1/C(C#N)=C\c1ccc(OC)cc1
InChIInChI=1S/C19H19NO2/c1-4-17-18(6-5-7-19(17)22-3)15(13-20)12-14-8-10-16(21-2)11-9-14/h5-12H,4H2,1-3H3/b15-12-
InChIKeyDGJXIVCGKFDREV-QINSGFPZSA-N
MW293.37 g/mol
LogP4.33
Rot. Bonds5

About (E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile

(E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile (PubChem CID 102248897) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
PubChem CID102248897
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
SMILESCCc1c(OC)cccc1/C(C#N)=C\c1ccc(OC)cc1
InChIInChI=1S/C19H19NO2/c1-4-17-18(6-5-7-19(17)22-3)15(13-20)12-14-8-10-16(21-2)11-9-14/h5-12H,4H2,1-3H3/b15-12-
InChIKeyDGJXIVCGKFDREV-QINSGFPZSA-N
XLogP4.33
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[4-[(E)-2-cyano-2-(2-methoxyphenyl)ethenyl]phenyl] 2-methoxybenzoate
CID 39113074
2-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide
CID 20835281
[4-[(E)-2-cyano-2-(2-methoxyphenyl)ethenyl]phenyl] 2,2,2-trichloroacetate
CID 39113423
[4-[(E)-2-cyano-2-(2-methoxyphenyl)ethenyl]phenyl] (E)-3-phenylprop-2-enoate
CID 39113486
(Z)-3-(4-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 174914424
2-[(4-methoxyphenyl)methylidene]propanedinitrile
CID 2063
[3-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl] 2-methoxybenzoate
CID 39115537
(Z)-3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)prop-2-enenitrile
CID 6015742
2-ethyl-3-methoxybenzenecarbothioamide
CID 91875220
[4-[(E)-2-cyano-2-(2-methoxyphenyl)ethenyl]phenyl] 3-cyclohexylpropanoate
CID 39113383
(E)-3-(4-ethoxyphenyl)-2-(2-methoxybenzoyl)prop-2-enenitrile
CID 9336384
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
CID 124669632

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The IUPAC name of (E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile (CID 102248897) is (E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile is CCc1c(OC)cccc1/C(C#N)=C\c1ccc(OC)cc1.
What is the InChIKey of (E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The InChIKey is DGJXIVCGKFDREV-QINSGFPZSA-N. The full InChI is InChI=1S/C19H19NO2/c1-4-17-18(6-5-7-19(17)22-3)15(13-20)12-14-8-10-16(21-2)11-9-14/h5-12H,4H2,1-3H3/b15-12-.
What are the key properties of (E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile?
(E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile has a molecular weight of 293.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-ethyl-3-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 102248897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).