2-benzyl-1,3-dioxolane

C10H12O2 — CID 7562

IUPAC2-benzyl-1,3-dioxolane
SMILESc1ccc(CC2OCCO2)cc1
InChIInChI=1S/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2
InChIKeySSZACLYPEFCREM-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.60
Rot. Bonds2

About 2-benzyl-1,3-dioxolane

2-benzyl-1,3-dioxolane (PubChem CID 7562) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-benzyl-1,3-dioxolane.

Molecular Properties

Compound Name2-benzyl-1,3-dioxolane
PubChem CID7562
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-benzyl-1,3-dioxolane
SMILESc1ccc(CC2OCCO2)cc1
InChIInChI=1S/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2
InChIKeySSZACLYPEFCREM-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-dioxolane?
The IUPAC name of 2-benzyl-1,3-dioxolane (CID 7562) is 2-benzyl-1,3-dioxolane.
What is the SMILES notation for 2-benzyl-1,3-dioxolane?
The canonical SMILES for 2-benzyl-1,3-dioxolane is c1ccc(CC2OCCO2)cc1.
What is the InChIKey of 2-benzyl-1,3-dioxolane?
The InChIKey is SSZACLYPEFCREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2.
What are the key properties of 2-benzyl-1,3-dioxolane?
2-benzyl-1,3-dioxolane has a molecular weight of 164.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-dioxolane is sourced from PubChem (CID 7562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).