prop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate

C16H19ClO3 — CID 70316138

IUPACprop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate
SMILESC=CCOC(=O)C(C)Oc1cc(CC=C)ccc1CCl
InChIInChI=1S/C16H19ClO3/c1-4-6-13-7-8-14(11-17)15(10-13)20-12(3)16(18)19-9-5-2/h4-5,7-8,10,12H,1-2,6,9,11H2,3H3
InChIKeyUFJKHUZLGSZAJK-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.65
Rot. Bonds8

About prop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate

prop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate (PubChem CID 70316138) has the molecular formula C16H19ClO3 and a molecular weight of 294.78 g/mol. Its IUPAC name is prop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate
PubChem CID70316138
Molecular FormulaC16H19ClO3
Molecular Weight294.78 g/mol
Exact Mass294.10
IUPAC Nameprop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate
SMILESC=CCOC(=O)C(C)Oc1cc(CC=C)ccc1CCl
InChIInChI=1S/C16H19ClO3/c1-4-6-13-7-8-14(11-17)15(10-13)20-12(3)16(18)19-9-5-2/h4-5,7-8,10,12H,1-2,6,9,11H2,3H3
InChIKeyUFJKHUZLGSZAJK-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-(chloromethyl)-5-prop-2-enylphenoxy]propanoate?
The IUPAC name of prop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate (CID 70316138) is prop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate.
What is the SMILES notation for prop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate?
The canonical SMILES for prop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate is C=CCOC(=O)C(C)Oc1cc(CC=C)ccc1CCl.
What is the InChIKey of prop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate?
The InChIKey is UFJKHUZLGSZAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO3/c1-4-6-13-7-8-14(11-17)15(10-13)20-12(3)16(18)19-9-5-2/h4-5,7-8,10,12H,1-2,6,9,11H2,3H3.
What are the key properties of prop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate?
prop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate has a molecular weight of 294.78 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[2-(chloromethyl)-5-prop-2-enylphenoxy]propanoate is sourced from PubChem (CID 70316138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).