2-(2-bromophenyl)-4-methyl-1,3-dioxole

C10H9BrO2 — CID 168868149

IUPAC2-(2-bromophenyl)-4-methyl-1,3-dioxole
SMILESCC1=COC(c2ccccc2Br)O1
InChIInChI=1S/C10H9BrO2/c1-7-6-12-10(13-7)8-4-2-3-5-9(8)11/h2-6,10H,1H3
InChIKeyBUSDUPAGOZRLKW-UHFFFAOYSA-N
MW241.08 g/mol
LogP3.36
Rot. Bonds1

About 2-(2-bromophenyl)-4-methyl-1,3-dioxole

2-(2-bromophenyl)-4-methyl-1,3-dioxole (PubChem CID 168868149) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-methyl-1,3-dioxole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-methyl-1,3-dioxole
PubChem CID168868149
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name2-(2-bromophenyl)-4-methyl-1,3-dioxole
SMILESCC1=COC(c2ccccc2Br)O1
InChIInChI=1S/C10H9BrO2/c1-7-6-12-10(13-7)8-4-2-3-5-9(8)11/h2-6,10H,1H3
InChIKeyBUSDUPAGOZRLKW-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-methyl-1,3-dioxole?
The IUPAC name of 2-(2-bromophenyl)-4-methyl-1,3-dioxole (CID 168868149) is 2-(2-bromophenyl)-4-methyl-1,3-dioxole.
What is the SMILES notation for 2-(2-bromophenyl)-4-methyl-1,3-dioxole?
The canonical SMILES for 2-(2-bromophenyl)-4-methyl-1,3-dioxole is CC1=COC(c2ccccc2Br)O1.
What is the InChIKey of 2-(2-bromophenyl)-4-methyl-1,3-dioxole?
The InChIKey is BUSDUPAGOZRLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-7-6-12-10(13-7)8-4-2-3-5-9(8)11/h2-6,10H,1H3.
What are the key properties of 2-(2-bromophenyl)-4-methyl-1,3-dioxole?
2-(2-bromophenyl)-4-methyl-1,3-dioxole has a molecular weight of 241.08 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-methyl-1,3-dioxole is sourced from PubChem (CID 168868149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).