(Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile

C18H16ClNO — CID 125465868

IUPAC(Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile
SMILESCC/C(=C(/C#N)c1ccc(Cl)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H16ClNO/c1-3-17(13-6-10-16(21-2)11-7-13)18(12-20)14-4-8-15(19)9-5-14/h4-11H,3H2,1-2H3/b18-17+
InChIKeyCFEXETJRMLXXLL-ISLYRVAYSA-N
MW297.79 g/mol
LogP5.19
Rot. Bonds4

About (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile

(Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile (PubChem CID 125465868) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile
PubChem CID125465868
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name(Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile
SMILESCC/C(=C(/C#N)c1ccc(Cl)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H16ClNO/c1-3-17(13-6-10-16(21-2)11-7-13)18(12-20)14-4-8-15(19)9-5-14/h4-11H,3H2,1-2H3/b18-17+
InChIKeyCFEXETJRMLXXLL-ISLYRVAYSA-N
XLogP5.19
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.79
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile (CID 125465868) is (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile is CC/C(=C(/C#N)c1ccc(Cl)cc1)c1ccc(OC)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile?
The InChIKey is CFEXETJRMLXXLL-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-3-17(13-6-10-16(21-2)11-7-13)18(12-20)14-4-8-15(19)9-5-14/h4-11H,3H2,1-2H3/b18-17+.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile?
(Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile has a molecular weight of 297.79 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enenitrile is sourced from PubChem (CID 125465868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).