4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one

C13H12O3 — CID 141464304

IUPAC4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one
SMILESC=Cc1oc(=O)oc1CCc1ccccc1
InChIInChI=1S/C13H12O3/c1-2-11-12(16-13(14)15-11)9-8-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKeyCMJUTXJXXHCZHO-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.66
Rot. Bonds4

About 4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one

4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one (PubChem CID 141464304) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one
PubChem CID141464304
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one
SMILESC=Cc1oc(=O)oc1CCc1ccccc1
InChIInChI=1S/C13H12O3/c1-2-11-12(16-13(14)15-11)9-8-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKeyCMJUTXJXXHCZHO-UHFFFAOYSA-N
XLogP2.66
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one (CID 141464304) is 4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one is C=Cc1oc(=O)oc1CCc1ccccc1.
What is the InChIKey of 4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one?
The InChIKey is CMJUTXJXXHCZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-2-11-12(16-13(14)15-11)9-8-10-6-4-3-5-7-10/h2-7H,1,8-9H2.
What are the key properties of 4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one?
4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one has a molecular weight of 216.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-(2-phenylethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 141464304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).