(Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile

C25H21NO2 — CID 92955739

IUPAC(Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile
SMILESCCCc1ccc(C(=O)/C(C#N)=C\c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H21NO2/c1-2-6-19-9-13-21(14-10-19)25(27)22(18-26)17-20-11-15-24(16-12-20)28-23-7-4-3-5-8-23/h3-5,7-17H,2,6H2,1H3/b22-17-
InChIKeyYPINXQQISBDWBD-XLNRJJMWSA-N
MW367.45 g/mol
LogP6.22
Rot. Bonds7

About (Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile

(Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile (PubChem CID 92955739) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile
PubChem CID92955739
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name(Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile
SMILESCCCc1ccc(C(=O)/C(C#N)=C\c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H21NO2/c1-2-6-19-9-13-21(14-10-19)25(27)22(18-26)17-20-11-15-24(16-12-20)28-23-7-4-3-5-8-23/h3-5,7-17H,2,6H2,1H3/b22-17-
InChIKeyYPINXQQISBDWBD-XLNRJJMWSA-N
XLogP6.22
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)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

(E)-2-benzoyl-3-(3-phenoxyphenyl)prop-2-enenitrile
CID 110191204
(E)-2-benzoyl-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 21381973
2-[[4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzonitrile
CID 21381952
(E)-2-(4-methylbenzoyl)-3-(4-methylphenyl)prop-2-enenitrile
CID 12735895
(Z)-2-(4-methylbenzoyl)-3-(4-methylphenyl)prop-2-enenitrile
CID 44725770
4-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 8828787
4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]benzonitrile
CID 5388647
3-(4-aminophenyl)-2-benzoylprop-2-enenitrile
CID 58543575
(E)-2-benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
CID 5388631
3-[4-(4-propylphenoxy)phenyl]prop-2-enoic acid
CID 20989085
4-phenoxybenzoyl cyanide
CID 20510497
(E)-3-[4-(dimethylamino)phenyl]-2-(4-methoxybenzoyl)prop-2-enenitrile
CID 8685083

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile (CID 92955739) is (Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile is CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile?
The InChIKey is YPINXQQISBDWBD-XLNRJJMWSA-N. The full InChI is InChI=1S/C25H21NO2/c1-2-6-19-9-13-21(14-10-19)25(27)22(18-26)17-20-11-15-24(16-12-20)28-23-7-4-3-5-8-23/h3-5,7-17H,2,6H2,1H3/b22-17-.
What are the key properties of (Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile?
(Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile has a molecular weight of 367.45 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-phenoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile is sourced from PubChem (CID 92955739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).