ethyl 2,3-diphenylbut-2-enoate

C18H18O2 — CID 175493323

IUPACethyl 2,3-diphenylbut-2-enoate
SMILESCCOC(=O)C(=C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-3-20-18(19)17(16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3
InChIKeyISQDOFLFOQUFMO-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.18
Rot. Bonds4

About ethyl 2,3-diphenylbut-2-enoate

ethyl 2,3-diphenylbut-2-enoate (PubChem CID 175493323) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2,3-diphenylbut-2-enoate.

Molecular Properties

Compound Nameethyl 2,3-diphenylbut-2-enoate
PubChem CID175493323
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Nameethyl 2,3-diphenylbut-2-enoate
SMILESCCOC(=O)C(=C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-3-20-18(19)17(16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3
InChIKeyISQDOFLFOQUFMO-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443
ethyl (E)-2-fluoro-3-phenylbut-2-enoate
CID 12705934
ethyl 3,3-dichloro-2-phenylprop-2-enoate
CID 121217995
ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate
CID 134119528
ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate
CID 177397823
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-2-benzyl-3-phenylbut-2-enoate
CID 12996325
ethyl (E)-3-anilino-2,3-diphenylprop-2-enoate
CID 101468495
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
dimethyl 3-acetyl-4-[(Z)-4-ethoxy-4-oxo-3-phenylbut-2-en-2-yl]cyclopent-3-ene-1,1-dicarboxylate
CID 101444879
ethyl (E)-3-acetamido-2-(4-methylphenyl)-3-phenylprop-2-enoate
CID 42638338
diethyl (Z)-2-phenyl-3-(2-phenylethyl)but-2-enedioate
CID 154407365

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-diphenylbut-2-enoate?
The IUPAC name of ethyl 2,3-diphenylbut-2-enoate (CID 175493323) is ethyl 2,3-diphenylbut-2-enoate.
What is the SMILES notation for ethyl 2,3-diphenylbut-2-enoate?
The canonical SMILES for ethyl 2,3-diphenylbut-2-enoate is CCOC(=O)C(=C(C)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2,3-diphenylbut-2-enoate?
The InChIKey is ISQDOFLFOQUFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-20-18(19)17(16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 2,3-diphenylbut-2-enoate?
ethyl 2,3-diphenylbut-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-diphenylbut-2-enoate is sourced from PubChem (CID 175493323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).