but-3-en-2-yl 4-ethenylbenzoate

C13H14O2 — CID 171922207

IUPACbut-3-en-2-yl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC(C)C=C)cc1
InChIInChI=1S/C13H14O2/c1-4-10(3)15-13(14)12-8-6-11(5-2)7-9-12/h4-10H,1-2H2,3H3
InChIKeyFLDIESICAJQCKA-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.06
Rot. Bonds4

About but-3-en-2-yl 4-ethenylbenzoate

but-3-en-2-yl 4-ethenylbenzoate (PubChem CID 171922207) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is but-3-en-2-yl 4-ethenylbenzoate.

Molecular Properties

Compound Namebut-3-en-2-yl 4-ethenylbenzoate
PubChem CID171922207
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Namebut-3-en-2-yl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC(C)C=C)cc1
InChIInChI=1S/C13H14O2/c1-4-10(3)15-13(14)12-8-6-11(5-2)7-9-12/h4-10H,1-2H2,3H3
InChIKeyFLDIESICAJQCKA-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze but-3-en-2-yl 4-ethenylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl 4-ethenylbenzoate?
The IUPAC name of but-3-en-2-yl 4-ethenylbenzoate (CID 171922207) is but-3-en-2-yl 4-ethenylbenzoate.
What is the SMILES notation for but-3-en-2-yl 4-ethenylbenzoate?
The canonical SMILES for but-3-en-2-yl 4-ethenylbenzoate is C=Cc1ccc(C(=O)OC(C)C=C)cc1.
What is the InChIKey of but-3-en-2-yl 4-ethenylbenzoate?
The InChIKey is FLDIESICAJQCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-4-10(3)15-13(14)12-8-6-11(5-2)7-9-12/h4-10H,1-2H2,3H3.
What are the key properties of but-3-en-2-yl 4-ethenylbenzoate?
but-3-en-2-yl 4-ethenylbenzoate has a molecular weight of 202.25 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl 4-ethenylbenzoate is sourced from PubChem (CID 171922207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).