(4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate

C19H18O6 — CID 156522437

IUPAC(4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate
SMILESC=Cc1ccc(OC(=O)COc2cccc3c2OC(OCC)O3)cc1
InChIInChI=1S/C19H18O6/c1-3-13-8-10-14(11-9-13)23-17(20)12-22-15-6-5-7-16-18(15)25-19(24-16)21-4-2/h3,5-11,19H,1,4,12H2,2H3
InChIKeyUDGWVWXXYOPJGJ-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.41
Rot. Bonds7

About (4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate

(4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate (PubChem CID 156522437) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is (4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate.

Molecular Properties

Compound Name(4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate
PubChem CID156522437
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name(4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate
SMILESC=Cc1ccc(OC(=O)COc2cccc3c2OC(OCC)O3)cc1
InChIInChI=1S/C19H18O6/c1-3-13-8-10-14(11-9-13)23-17(20)12-22-15-6-5-7-16-18(15)25-19(24-16)21-4-2/h3,5-11,19H,1,4,12H2,2H3
InChIKeyUDGWVWXXYOPJGJ-UHFFFAOYSA-N
XLogP3.41
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate?
The IUPAC name of (4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate (CID 156522437) is (4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate.
What is the SMILES notation for (4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate?
The canonical SMILES for (4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate is C=Cc1ccc(OC(=O)COc2cccc3c2OC(OCC)O3)cc1.
What is the InChIKey of (4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate?
The InChIKey is UDGWVWXXYOPJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-3-13-8-10-14(11-9-13)23-17(20)12-22-15-6-5-7-16-18(15)25-19(24-16)21-4-2/h3,5-11,19H,1,4,12H2,2H3.
What are the key properties of (4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate?
(4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate has a molecular weight of 342.35 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl) 2-[(2-ethoxy-1,3-benzodioxol-4-yl)oxy]acetate is sourced from PubChem (CID 156522437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).