2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane

C11H13BrO3 — CID 11086922

IUPAC2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane
SMILESCOc1cc(C2OCCO2)c(Br)cc1C
InChIInChI=1S/C11H13BrO3/c1-7-5-9(12)8(6-10(7)13-2)11-14-3-4-15-11/h5-6,11H,3-4H2,1-2H3
InChIKeyLDEHBYJPMZFYJO-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.81
Rot. Bonds2

About 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane

2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane (PubChem CID 11086922) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane
PubChem CID11086922
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane
SMILESCOc1cc(C2OCCO2)c(Br)cc1C
InChIInChI=1S/C11H13BrO3/c1-7-5-9(12)8(6-10(7)13-2)11-14-3-4-15-11/h5-6,11H,3-4H2,1-2H3
InChIKeyLDEHBYJPMZFYJO-UHFFFAOYSA-N
XLogP2.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-5-methoxy-4-methylphenyl)-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-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane (CID 11086922) is 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane is COc1cc(C2OCCO2)c(Br)cc1C.
What is the InChIKey of 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane?
The InChIKey is LDEHBYJPMZFYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-7-5-9(12)8(6-10(7)13-2)11-14-3-4-15-11/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane?
2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane has a molecular weight of 273.13 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane is sourced from PubChem (CID 11086922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).