butyl 2,3-diphenylprop-2-enoate

C19H20O2 — CID 70231601

IUPACbutyl 2,3-diphenylprop-2-enoate
SMILESCCCCOC(=O)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O2/c1-2-3-14-21-19(20)18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-13,15H,2-3,14H2,1H3
InChIKeyKAZYOFKZEOIBMM-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.57
Rot. Bonds6

About butyl 2,3-diphenylprop-2-enoate

butyl 2,3-diphenylprop-2-enoate (PubChem CID 70231601) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is butyl 2,3-diphenylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2,3-diphenylprop-2-enoate
PubChem CID70231601
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Namebutyl 2,3-diphenylprop-2-enoate
SMILESCCCCOC(=O)C(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O2/c1-2-3-14-21-19(20)18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-13,15H,2-3,14H2,1H3
InChIKeyKAZYOFKZEOIBMM-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 butyl 2,3-diphenylprop-2-enoate?
The IUPAC name of butyl 2,3-diphenylprop-2-enoate (CID 70231601) is butyl 2,3-diphenylprop-2-enoate.
What is the SMILES notation for butyl 2,3-diphenylprop-2-enoate?
The canonical SMILES for butyl 2,3-diphenylprop-2-enoate is CCCCOC(=O)C(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of butyl 2,3-diphenylprop-2-enoate?
The InChIKey is KAZYOFKZEOIBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-3-14-21-19(20)18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-13,15H,2-3,14H2,1H3.
What are the key properties of butyl 2,3-diphenylprop-2-enoate?
butyl 2,3-diphenylprop-2-enoate has a molecular weight of 280.37 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2,3-diphenylprop-2-enoate is sourced from PubChem (CID 70231601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).