(Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile

C19H19NO2 — CID 1395387

IUPAC(Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile
SMILESCCOc1ccc(/C(C#N)=C/c2ccccc2)cc1OCC
InChIInChI=1S/C19H19NO2/c1-3-21-18-11-10-16(13-19(18)22-4-2)17(14-20)12-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3/b17-12+
InChIKeyNVNQBPHJLSZJFJ-SFQUDFHCSA-N
MW293.37 g/mol
LogP4.55
Rot. Bonds6

About (Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile

(Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile (PubChem CID 1395387) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile
PubChem CID1395387
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile
SMILESCCOc1ccc(/C(C#N)=C/c2ccccc2)cc1OCC
InChIInChI=1S/C19H19NO2/c1-3-21-18-11-10-16(13-19(18)22-4-2)17(14-20)12-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3/b17-12+
InChIKeyNVNQBPHJLSZJFJ-SFQUDFHCSA-N
XLogP4.55
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.55
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-[[4-[(Z)-2-cyano-2-phenylethenyl]-2-ethoxyphenoxy]methyl]benzoic acid
CID 126074145
5-[(Z)-2-cyano-2-phenylethenyl]-2-ethoxybenzoic acid
CID 6210247
(E)-3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-phenylprop-2-enenitrile
CID 126364346
3-(3,4-diethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 4177062
(E)-3-(3,4-diethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 966542
4-[[4-[(E)-2-(4-carboxyphenyl)-2-cyanoethenyl]-2-ethoxyphenoxy]methyl]benzoic acid
CID 124553492
(Z)-3-(3-ethoxy-4-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 954780
(Z)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 954721
2-[4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-2-ethoxyphenoxy]acetic acid
CID 126398476
2-(3,4-dimethoxyphenyl)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enenitrile
CID 4296561
(E)-3-(3,4-diethoxy-5-iodophenyl)-2-phenylprop-2-enenitrile
CID 126370380
4-[[4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]-2-ethoxyphenoxy]methyl]benzoic acid
CID 126396197

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile?
The IUPAC name of (Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile (CID 1395387) is (Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile is CCOc1ccc(/C(C#N)=C/c2ccccc2)cc1OCC.
What is the InChIKey of (Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile?
The InChIKey is NVNQBPHJLSZJFJ-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-21-18-11-10-16(13-19(18)22-4-2)17(14-20)12-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3/b17-12+.
What are the key properties of (Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile?
(Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile has a molecular weight of 293.37 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,4-diethoxyphenyl)-3-phenylprop-2-enenitrile is sourced from PubChem (CID 1395387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).