4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane

C12H14O3 — CID 89178874

IUPAC4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane
SMILESC=CC1COC(c2cccc(OC)c2)O1
InChIInChI=1S/C12H14O3/c1-3-10-8-14-12(15-10)9-5-4-6-11(7-9)13-2/h3-7,10,12H,1,8H2,2H3
InChIKeyGLEQCMARZBMMIM-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.30
Rot. Bonds3

About 4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane

4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane (PubChem CID 89178874) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane
PubChem CID89178874
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane
SMILESC=CC1COC(c2cccc(OC)c2)O1
InChIInChI=1S/C12H14O3/c1-3-10-8-14-12(15-10)9-5-4-6-11(7-9)13-2/h3-7,10,12H,1,8H2,2H3
InChIKeyGLEQCMARZBMMIM-UHFFFAOYSA-N
XLogP2.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.30
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-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane (CID 89178874) is 4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane is C=CC1COC(c2cccc(OC)c2)O1.
What is the InChIKey of 4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane?
The InChIKey is GLEQCMARZBMMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-10-8-14-12(15-10)9-5-4-6-11(7-9)13-2/h3-7,10,12H,1,8H2,2H3.
What are the key properties of 4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane?
4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane has a molecular weight of 206.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 89178874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).