diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate

C22H24O4 — CID 134872871

IUPACdiethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate
SMILESCCOC(=O)C(C/C=C\c1ccccc1)(C(=O)OCC)c1ccccc1
InChIInChI=1S/C22H24O4/c1-3-25-20(23)22(21(24)26-4-2,19-15-9-6-10-16-19)17-11-14-18-12-7-5-8-13-18/h5-16H,3-4,17H2,1-2H3/b14-11-
InChIKeyIJJOCNZDJSHUGE-KAMYIIQDSA-N
MW352.43 g/mol
LogP4.15
Rot. Bonds8

About diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate

diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate (PubChem CID 134872871) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate
PubChem CID134872871
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Namediethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate
SMILESCCOC(=O)C(C/C=C\c1ccccc1)(C(=O)OCC)c1ccccc1
InChIInChI=1S/C22H24O4/c1-3-25-20(23)22(21(24)26-4-2,19-15-9-6-10-16-19)17-11-14-18-12-7-5-8-13-18/h5-16H,3-4,17H2,1-2H3/b14-11-
InChIKeyIJJOCNZDJSHUGE-KAMYIIQDSA-N
XLogP4.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-methyl-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 10957226
ethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate
CID 146162572
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
diethyl 2-(3-phenylprop-2-enyl)-2-prop-2-ynylpropanedioate
CID 73086345
diethyl 2-methyl-2-[3-(2-phenylethenyl)phenyl]propanedioate
CID 71380723
diethyl 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 53381295
ethyl 2-acetyl-4-oxo-2-phenylpentanoate
CID 68562528
sodium 2-ethoxycarbonyl-2-phenylbutanoate
CID 19003499
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
ethyl (E,2S)-2-amino-2-benzyl-5-(4-methoxyphenyl)pent-4-enoate
CID 146162567
ethyl (E)-2,2-dimethyl-3-oxo-5-phenylpent-4-enoate
CID 102065413
ethyl acetate;stilbene
CID 159556390

Frequently Asked Questions

What is the IUPAC name of diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate?
The IUPAC name of diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate (CID 134872871) is diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate.
What is the SMILES notation for diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate?
The canonical SMILES for diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate is CCOC(=O)C(C/C=C\c1ccccc1)(C(=O)OCC)c1ccccc1.
What is the InChIKey of diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate?
The InChIKey is IJJOCNZDJSHUGE-KAMYIIQDSA-N. The full InChI is InChI=1S/C22H24O4/c1-3-25-20(23)22(21(24)26-4-2,19-15-9-6-10-16-19)17-11-14-18-12-7-5-8-13-18/h5-16H,3-4,17H2,1-2H3/b14-11-.
What are the key properties of diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate?
diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate has a molecular weight of 352.43 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate is sourced from PubChem (CID 134872871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).