ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate

C19H17NO3 — CID 75366207

IUPACethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate
SMILESCCOC(=O)/C(C#N)=C(\C)c1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C19H17NO3/c1-3-23-19(22)17(12-20)13(2)14-8-10-15(11-9-14)16-6-4-5-7-18(16)21/h4-11,21H,3H2,1-2H3/b17-13+
InChIKeyYLKBNWXGYGCXPR-GHRIWEEISA-N
MW307.35 g/mol
LogP3.92
Rot. Bonds4

About ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate

ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate (PubChem CID 75366207) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate
PubChem CID75366207
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Nameethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate
SMILESCCOC(=O)/C(C#N)=C(\C)c1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C19H17NO3/c1-3-23-19(22)17(12-20)13(2)14-8-10-15(11-9-14)16-6-4-5-7-18(16)21/h4-11,21H,3H2,1-2H3/b17-13+
InChIKeyYLKBNWXGYGCXPR-GHRIWEEISA-N
XLogP3.92
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate 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

ethyl 2-amino-4-phenylthiophene-3-carboxylate;ethyl 2-cyano-3-phenylbut-2-enoate
CID 158643545
ethyl 2-cyano-3-(4-prop-2-enoyloxyphenyl)but-2-enoate
CID 54213751
ethyl (Z)-2-cyano-3-(methylamino)-3-phenylprop-2-enoate
CID 10823341
2-cyano-3,3-diphenylprop-2-enoic acid;ethyl 2-cyano-3,3-diphenylprop-2-enoate
CID 157233929
1-[4-(2-hydroxyphenyl)phenyl]propan-1-one
CID 19877656
ethyl 2-cyano-3-phenylbutanoate;ethyl (E)-2-cyano-3-phenylbut-2-enoate;iodoform;iodomethane;vanadium
CID 159142887
ethyl 3,3-dianilino-2-cyanoprop-2-enoate
CID 4184805
ethyl (E)-3-(4-methylphenyl)-2-(2-trimethylsilylethynyl)but-2-enoate
CID 11536748
2-cyano-3-(4-methylphenyl)but-2-enamide
CID 57041638
ethyl 3-(4-chlorophenyl)-2-cyano-3-hydroxyprop-2-enoate
CID 54746652
ethyl (Z)-3-(4-acetamidophenyl)-3-amino-2-cyanoprop-2-enoate
CID 170190473
ethyl (Z)-3-amino-2-cyano-3-ethoxyprop-2-enoate
CID 14173175

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate?
The IUPAC name of ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate (CID 75366207) is ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate.
What is the SMILES notation for ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate?
The canonical SMILES for ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate is CCOC(=O)/C(C#N)=C(\C)c1ccc(-c2ccccc2O)cc1.
What is the InChIKey of ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate?
The InChIKey is YLKBNWXGYGCXPR-GHRIWEEISA-N. The full InChI is InChI=1S/C19H17NO3/c1-3-23-19(22)17(12-20)13(2)14-8-10-15(11-9-14)16-6-4-5-7-18(16)21/h4-11,21H,3H2,1-2H3/b17-13+.
What are the key properties of ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate?
ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate has a molecular weight of 307.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-cyano-3-[4-(2-hydroxyphenyl)phenyl]but-2-enoate is sourced from PubChem (CID 75366207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).