4-(phenylmethoxymethyl)-1,3-dioxolan-2-one

C11H12O4 — CID 4166832

IUPAC4-(phenylmethoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COCc2ccccc2)O1
InChIInChI=1S/C11H12O4/c12-11-14-8-10(15-11)7-13-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyPLTALYMSSXETDZ-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.74
Rot. Bonds4

About 4-(phenylmethoxymethyl)-1,3-dioxolan-2-one

4-(phenylmethoxymethyl)-1,3-dioxolan-2-one (PubChem CID 4166832) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-(phenylmethoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(phenylmethoxymethyl)-1,3-dioxolan-2-one
PubChem CID4166832
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name4-(phenylmethoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COCc2ccccc2)O1
InChIInChI=1S/C11H12O4/c12-11-14-8-10(15-11)7-13-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyPLTALYMSSXETDZ-UHFFFAOYSA-N
XLogP1.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(phenylmethoxymethyl)-1,3-dioxolan-2-one (CID 4166832) is 4-(phenylmethoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(phenylmethoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(phenylmethoxymethyl)-1,3-dioxolan-2-one is O=C1OCC(COCc2ccccc2)O1.
What is the InChIKey of 4-(phenylmethoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is PLTALYMSSXETDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-11-14-8-10(15-11)7-13-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 4-(phenylmethoxymethyl)-1,3-dioxolan-2-one?
4-(phenylmethoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 208.21 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 4166832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).