4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane

C13H16O3 — CID 123516805

IUPAC4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane
SMILESC=CCOc1ccc(C2OCC(C)O2)cc1
InChIInChI=1S/C13H16O3/c1-3-8-14-12-6-4-11(5-7-12)13-15-9-10(2)16-13/h3-7,10,13H,1,8-9H2,2H3
InChIKeyVZUHKLPRRJHPIF-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.69
Rot. Bonds4

About 4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane

4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane (PubChem CID 123516805) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane
PubChem CID123516805
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane
SMILESC=CCOc1ccc(C2OCC(C)O2)cc1
InChIInChI=1S/C13H16O3/c1-3-8-14-12-6-4-11(5-7-12)13-15-9-10(2)16-13/h3-7,10,13H,1,8-9H2,2H3
InChIKeyVZUHKLPRRJHPIF-UHFFFAOYSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane?
The IUPAC name of 4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane (CID 123516805) is 4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane is C=CCOc1ccc(C2OCC(C)O2)cc1.
What is the InChIKey of 4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane?
The InChIKey is VZUHKLPRRJHPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-8-14-12-6-4-11(5-7-12)13-15-9-10(2)16-13/h3-7,10,13H,1,8-9H2,2H3.
What are the key properties of 4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane?
4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane has a molecular weight of 220.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-prop-2-enoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 123516805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).