(Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile

C17H14BrNO — CID 6240625

IUPAC(Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile
SMILESCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H14BrNO/c1-2-20-17-9-3-13(4-10-17)11-15(12-19)14-5-7-16(18)8-6-14/h3-11H,2H2,1H3/b15-11+
InChIKeyZWHPGSXTMUCYOF-RVDMUPIBSA-N
MW328.21 g/mol
LogP4.91
Rot. Bonds4

About (Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile

(Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile (PubChem CID 6240625) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile
PubChem CID6240625
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile
SMILESCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H14BrNO/c1-2-20-17-9-3-13(4-10-17)11-15(12-19)14-5-7-16(18)8-6-14/h3-11H,2H2,1H3/b15-11+
InChIKeyZWHPGSXTMUCYOF-RVDMUPIBSA-N
XLogP4.91
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.91
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'}

Analyze (Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile
CID 2232217
3-(4-bromophenyl)-2-[4-[2-(4-bromophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile
CID 4166227
(E)-2-(4-bromophenyl)-3-[4-[(2,4-dibromophenyl)methoxy]phenyl]prop-2-enenitrile
CID 126189799
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-iodophenyl)prop-2-enenitrile
CID 126373754
[2-(4-bromophenyl)-2-oxoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 8884482
(Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile
CID 157252511
[4-[(E)-2-cyano-2-phenylethenyl]phenyl] 2-(4-ethoxyphenyl)acetate
CID 39112684
4-[(Z)-2-[4-(4-bromobutoxy)phenyl]-1-cyanoethenyl]benzonitrile
CID 172915022
2-(4-butoxyphenyl)-3-(4-hexylphenyl)prop-2-enenitrile
CID 54280017
(E)-3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-phenylprop-2-enenitrile
CID 126364346
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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile (CID 6240625) is (Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile is CCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1.
What is the InChIKey of (Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile?
The InChIKey is ZWHPGSXTMUCYOF-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-2-20-17-9-3-13(4-10-17)11-15(12-19)14-5-7-16(18)8-6-14/h3-11H,2H2,1H3/b15-11+.
What are the key properties of (Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile?
(Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile has a molecular weight of 328.21 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 6240625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).