4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile

C18H14N2O — CID 2232217

IUPAC4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile
SMILESCCOc1ccc(/C=C(\C#N)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H14N2O/c1-2-21-18-9-5-14(6-10-18)11-17(13-20)16-7-3-15(12-19)4-8-16/h3-11H,2H2,1H3/b17-11+
InChIKeySVHJQSKQVZLSBQ-GZTJUZNOSA-N
MW274.32 g/mol
LogP4.02
Rot. Bonds4

About 4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile

4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile (PubChem CID 2232217) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile
PubChem CID2232217
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile
SMILESCCOc1ccc(/C=C(\C#N)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H14N2O/c1-2-21-18-9-5-14(6-10-18)11-17(13-20)16-7-3-15(12-19)4-8-16/h3-11H,2H2,1H3/b17-11+
InChIKeySVHJQSKQVZLSBQ-GZTJUZNOSA-N
XLogP4.02
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.02
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

(Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile
CID 6240625
4-[(Z)-2-[4-(4-bromobutoxy)phenyl]-1-cyanoethenyl]benzonitrile
CID 172915022
4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile
CID 935173
4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzonitrile
CID 10401953
[4-[(E)-2-cyano-2-phenylethenyl]phenyl] 2-(4-ethoxyphenyl)acetate
CID 39112684
2-(4-butoxyphenyl)-3-(4-hexylphenyl)prop-2-enenitrile
CID 54280017
2-[4-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenoxy]acetic acid
CID 92939823
(E)-3-(4-butoxyphenyl)-2-[4-[[4-[[4-[(Z)-2-(4-butoxyphenyl)-1-cyanoethenyl]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]prop-2-enenitrile
CID 177473201
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
(E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile
CID 2201191
(Z)-3-[4-[(Z)-2-cyano-2-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]-2-[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]prop-2-enenitrile
CID 87836593
(Z)-3-[4-[2-(diethylamino)ethoxy]phenyl]-2-[4-(diethylamino)phenyl]prop-2-enenitrile
CID 5474273

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile (CID 2232217) is 4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile is CCOc1ccc(/C=C(\C#N)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile?
The InChIKey is SVHJQSKQVZLSBQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C18H14N2O/c1-2-21-18-9-5-14(6-10-18)11-17(13-20)16-7-3-15(12-19)4-8-16/h3-11H,2H2,1H3/b17-11+.
What are the key properties of 4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile?
4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile has a molecular weight of 274.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile is sourced from PubChem (CID 2232217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).