ethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate

C19H17NO3 — CID 71369946

IUPACethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate
SMILESCCOC(=O)C(C#N)=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C19H17NO3/c1-2-23-19(22)16(13-20)17(14-9-5-3-6-10-14)18(21)15-11-7-4-8-12-15/h3-12,18,21H,2H2,1H3
InChIKeyFLNZAFDLDIFUBN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.26
Rot. Bonds5

About ethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate

ethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate (PubChem CID 71369946) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate.

Molecular Properties

Compound Nameethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate
PubChem CID71369946
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Nameethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate
SMILESCCOC(=O)C(C#N)=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C19H17NO3/c1-2-23-19(22)16(13-20)17(14-9-5-3-6-10-14)18(21)15-11-7-4-8-12-15/h3-12,18,21H,2H2,1H3
InChIKeyFLNZAFDLDIFUBN-UHFFFAOYSA-N
XLogP3.26
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.26
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'}

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Related Compounds

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
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 3,3-dianilino-2-cyanoprop-2-enoate
CID 4184805
(Z)-3-amino-2-cyano-3-(2-ethylphenyl)prop-2-enoic acid;ethyl (Z)-3-amino-2-cyano-3-phenylprop-2-enoate
CID 175832944
ethyl (E)-3-benzamido-2-cyano-3-methylsulfanylprop-2-enoate
CID 166593676
ethyl (E)-3-cyano-2-methyl-3-phenylprop-2-enoate
CID 11195261
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
ethyl 2-cyano-3-phenylbutanoate;ethyl (E)-2-cyano-3-phenylbut-2-enoate;iodoform;iodomethane;vanadium
CID 159142887
2-methylbutyl (Z)-2-cyano-3-(4-methylphenyl)-3-phenylprop-2-enoate
CID 58021157
ethyl 2,5-dioxo-3-phenylhexanoate
CID 154710518

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate?
The IUPAC name of ethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate (CID 71369946) is ethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate.
What is the SMILES notation for ethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate?
The canonical SMILES for ethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate is CCOC(=O)C(C#N)=C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of ethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate?
The InChIKey is FLNZAFDLDIFUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-23-19(22)16(13-20)17(14-9-5-3-6-10-14)18(21)15-11-7-4-8-12-15/h3-12,18,21H,2H2,1H3.
What are the key properties of ethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate?
ethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate has a molecular weight of 307.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-4-hydroxy-3,4-diphenylbut-2-enoate is sourced from PubChem (CID 71369946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).