2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane

C16H13BrCl2O2 — CID 57226131

IUPAC2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane
SMILESCC1COC(c2ccc(Br)cc2)(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C16H13BrCl2O2/c1-10-9-20-16(21-10,11-2-4-12(17)5-3-11)14-7-6-13(18)8-15(14)19/h2-8,10H,9H2,1H3
InChIKeyYEHMZTWMPGZKPP-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.39
Rot. Bonds2

About 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane

2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane (PubChem CID 57226131) has the molecular formula C16H13BrCl2O2 and a molecular weight of 388.09 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane
PubChem CID57226131
Molecular FormulaC16H13BrCl2O2
Molecular Weight388.09 g/mol
Exact Mass385.95
IUPAC Name2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane
SMILESCC1COC(c2ccc(Br)cc2)(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C16H13BrCl2O2/c1-10-9-20-16(21-10,11-2-4-12(17)5-3-11)14-7-6-13(18)8-15(14)19/h2-8,10H,9H2,1H3
InChIKeyYEHMZTWMPGZKPP-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-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-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane?
The IUPAC name of 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane (CID 57226131) is 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane is CC1COC(c2ccc(Br)cc2)(c2ccc(Cl)cc2Cl)O1.
What is the InChIKey of 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane?
The InChIKey is YEHMZTWMPGZKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2O2/c1-10-9-20-16(21-10,11-2-4-12(17)5-3-11)14-7-6-13(18)8-15(14)19/h2-8,10H,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane?
2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane has a molecular weight of 388.09 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolane is sourced from PubChem (CID 57226131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).