2-(2-phenylethenyl)-1,3-dioxolane

C11H12O2 — CID 21870

IUPAC2-(2-phenylethenyl)-1,3-dioxolane
SMILESC(=CC1OCCO1)c1ccccc1
InChIInChI=1S/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2
InChIKeyJQLASNFFJHGQTK-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.07
Rot. Bonds2

About 2-(2-phenylethenyl)-1,3-dioxolane

2-(2-phenylethenyl)-1,3-dioxolane (PubChem CID 21870) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-phenylethenyl)-1,3-dioxolane
PubChem CID21870
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-(2-phenylethenyl)-1,3-dioxolane
SMILESC(=CC1OCCO1)c1ccccc1
InChIInChI=1S/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2
InChIKeyJQLASNFFJHGQTK-UHFFFAOYSA-N
XLogP2.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-phenylethenyl)-1,3-dioxolane (CID 21870) is 2-(2-phenylethenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-phenylethenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-phenylethenyl)-1,3-dioxolane is C(=CC1OCCO1)c1ccccc1.
What is the InChIKey of 2-(2-phenylethenyl)-1,3-dioxolane?
The InChIKey is JQLASNFFJHGQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2.
What are the key properties of 2-(2-phenylethenyl)-1,3-dioxolane?
2-(2-phenylethenyl)-1,3-dioxolane has a molecular weight of 176.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-1,3-dioxolane is sourced from PubChem (CID 21870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).