prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate

C20H18O4 — CID 22594858

IUPACprop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate
SMILESC=CCOC(=O)c1ccccc1-c1ccccc1C(=O)OCC=C
InChIInChI=1S/C20H18O4/c1-3-13-23-19(21)17-11-7-5-9-15(17)16-10-6-8-12-18(16)20(22)24-14-4-2/h3-12H,1-2,13-14H2
InChIKeyQMJUKLOOIAWREN-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.04
Rot. Bonds7

About prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate

prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate (PubChem CID 22594858) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate
PubChem CID22594858
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Nameprop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate
SMILESC=CCOC(=O)c1ccccc1-c1ccccc1C(=O)OCC=C
InChIInChI=1S/C20H18O4/c1-3-13-23-19(21)17-11-7-5-9-15(17)16-10-6-8-12-18(16)20(22)24-14-4-2/h3-12H,1-2,13-14H2
InChIKeyQMJUKLOOIAWREN-UHFFFAOYSA-N
XLogP4.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate?
The IUPAC name of prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate (CID 22594858) is prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate.
What is the SMILES notation for prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate?
The canonical SMILES for prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate is C=CCOC(=O)c1ccccc1-c1ccccc1C(=O)OCC=C.
What is the InChIKey of prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate?
The InChIKey is QMJUKLOOIAWREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-3-13-23-19(21)17-11-7-5-9-15(17)16-10-6-8-12-18(16)20(22)24-14-4-2/h3-12H,1-2,13-14H2.
What are the key properties of prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate?
prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate has a molecular weight of 322.36 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2-prop-2-enoxycarbonylphenyl)benzoate is sourced from PubChem (CID 22594858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).