(E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile

C18H14ClNO — CID 2201191

IUPAC(E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile
SMILESC=CCOc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClNO/c1-2-11-21-18-9-3-14(4-10-18)12-16(13-20)15-5-7-17(19)8-6-15/h2-10,12H,1,11H2/b16-12-
InChIKeyRRUJYPFTPQXGPH-VBKFSLOCSA-N
MW295.77 g/mol
LogP4.97
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile

(E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile (PubChem CID 2201191) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile
PubChem CID2201191
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name(E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile
SMILESC=CCOc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClNO/c1-2-11-21-18-9-3-14(4-10-18)12-16(13-20)15-5-7-17(19)8-6-15/h2-10,12H,1,11H2/b16-12-
InChIKeyRRUJYPFTPQXGPH-VBKFSLOCSA-N
XLogP4.97
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
2-(4-nitrophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile
CID 2952259
(E)-2-(4-chlorophenyl)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 126365201
(E)-2-(4-chlorophenyl)-3-[4-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 126361290
[4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenyl] butanoate
CID 39113811
(E)-2-(4-chlorophenyl)-3-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)prop-2-enenitrile
CID 2201523
4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile
CID 2232217
(Z)-3-(4-chlorophenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529295
(Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile
CID 6240625
(Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
CID 17272599
2-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
CID 912015
(E)-3-(2-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-(4-chlorophenyl)prop-2-enenitrile
CID 2202763

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile?
The IUPAC name of (E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile (CID 2201191) is (E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile is C=CCOc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile?
The InChIKey is RRUJYPFTPQXGPH-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H14ClNO/c1-2-11-21-18-9-3-14(4-10-18)12-16(13-20)15-5-7-17(19)8-6-15/h2-10,12H,1,11H2/b16-12-.
What are the key properties of (E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile?
(E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile has a molecular weight of 295.77 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 2201191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).