2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane

C12H16O4 — CID 121010325

IUPAC2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane
SMILESCCOC1OCC(COc2ccccc2)O1
InChIInChI=1S/C12H16O4/c1-2-13-12-15-9-11(16-12)8-14-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKeyLBJDWZDHIBESLP-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.80
Rot. Bonds5

About 2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane

2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane (PubChem CID 121010325) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane
PubChem CID121010325
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane
SMILESCCOC1OCC(COc2ccccc2)O1
InChIInChI=1S/C12H16O4/c1-2-13-12-15-9-11(16-12)8-14-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKeyLBJDWZDHIBESLP-UHFFFAOYSA-N
XLogP1.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane?
The IUPAC name of 2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane (CID 121010325) is 2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane is CCOC1OCC(COc2ccccc2)O1.
What is the InChIKey of 2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane?
The InChIKey is LBJDWZDHIBESLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-2-13-12-15-9-11(16-12)8-14-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3.
What are the key properties of 2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane?
2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane has a molecular weight of 224.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(phenoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 121010325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).