ethyl 2,3,3-triphenylprop-2-enoate

C23H20O2 — CID 3370883

IUPACethyl 2,3,3-triphenylprop-2-enoate
SMILESCCOC(=O)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/c1-2-25-23(24)22(20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17H,2H2,1H3
InChIKeyHCKDOTQLNJAIKD-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.21
Rot. Bonds5

About ethyl 2,3,3-triphenylprop-2-enoate

ethyl 2,3,3-triphenylprop-2-enoate (PubChem CID 3370883) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 2,3,3-triphenylprop-2-enoate.

Molecular Properties

Compound Nameethyl 2,3,3-triphenylprop-2-enoate
PubChem CID3370883
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Nameethyl 2,3,3-triphenylprop-2-enoate
SMILESCCOC(=O)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O2/c1-2-25-23(24)22(20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17H,2H2,1H3
InChIKeyHCKDOTQLNJAIKD-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.21
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3,3-triphenylprop-2-enoate?
The IUPAC name of ethyl 2,3,3-triphenylprop-2-enoate (CID 3370883) is ethyl 2,3,3-triphenylprop-2-enoate.
What is the SMILES notation for ethyl 2,3,3-triphenylprop-2-enoate?
The canonical SMILES for ethyl 2,3,3-triphenylprop-2-enoate is CCOC(=O)C(=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2,3,3-triphenylprop-2-enoate?
The InChIKey is HCKDOTQLNJAIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-2-25-23(24)22(20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17H,2H2,1H3.
What are the key properties of ethyl 2,3,3-triphenylprop-2-enoate?
ethyl 2,3,3-triphenylprop-2-enoate has a molecular weight of 328.41 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3,3-triphenylprop-2-enoate is sourced from PubChem (CID 3370883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).