2-(2,4-dibromophenyl)-1,3-dioxolane

C9H8Br2O2 — CID 10662552

IUPAC2-(2,4-dibromophenyl)-1,3-dioxolane
SMILESBrc1ccc(C2OCCO2)c(Br)c1
InChIInChI=1S/C9H8Br2O2/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKeyLJCVFDOFJXVQBL-UHFFFAOYSA-N
MW307.97 g/mol
LogP3.26
Rot. Bonds1

About 2-(2,4-dibromophenyl)-1,3-dioxolane

2-(2,4-dibromophenyl)-1,3-dioxolane (PubChem CID 10662552) has the molecular formula C9H8Br2O2 and a molecular weight of 307.97 g/mol. Its IUPAC name is 2-(2,4-dibromophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,4-dibromophenyl)-1,3-dioxolane
PubChem CID10662552
Molecular FormulaC9H8Br2O2
Molecular Weight307.97 g/mol
Exact Mass305.89
IUPAC Name2-(2,4-dibromophenyl)-1,3-dioxolane
SMILESBrc1ccc(C2OCCO2)c(Br)c1
InChIInChI=1S/C9H8Br2O2/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKeyLJCVFDOFJXVQBL-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dibromophenyl)-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-(2,4-dibromophenyl)-1,3-dioxolane?
The IUPAC name of 2-(2,4-dibromophenyl)-1,3-dioxolane (CID 10662552) is 2-(2,4-dibromophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,4-dibromophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,4-dibromophenyl)-1,3-dioxolane is Brc1ccc(C2OCCO2)c(Br)c1.
What is the InChIKey of 2-(2,4-dibromophenyl)-1,3-dioxolane?
The InChIKey is LJCVFDOFJXVQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O2/c10-6-1-2-7(8(11)5-6)9-12-3-4-13-9/h1-2,5,9H,3-4H2.
What are the key properties of 2-(2,4-dibromophenyl)-1,3-dioxolane?
2-(2,4-dibromophenyl)-1,3-dioxolane has a molecular weight of 307.97 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenyl)-1,3-dioxolane is sourced from PubChem (CID 10662552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).