2-(2-bromophenyl)-1,3-dioxolane

C9H9BrO2 — CID 553534

IUPAC2-(2-bromophenyl)-1,3-dioxolane
SMILESBrc1ccccc1C1OCCO1
InChIInChI=1S/C9H9BrO2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChIKeyIWSGKSUCFVOWQU-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.49
Rot. Bonds1

About 2-(2-bromophenyl)-1,3-dioxolane

2-(2-bromophenyl)-1,3-dioxolane (PubChem CID 553534) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-bromophenyl)-1,3-dioxolane
PubChem CID553534
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name2-(2-bromophenyl)-1,3-dioxolane
SMILESBrc1ccccc1C1OCCO1
InChIInChI=1S/C9H9BrO2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChIKeyIWSGKSUCFVOWQU-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-bromophenyl)-1,3-dioxolane (CID 553534) is 2-(2-bromophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-bromophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-bromophenyl)-1,3-dioxolane is Brc1ccccc1C1OCCO1.
What is the InChIKey of 2-(2-bromophenyl)-1,3-dioxolane?
The InChIKey is IWSGKSUCFVOWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9H,5-6H2.
What are the key properties of 2-(2-bromophenyl)-1,3-dioxolane?
2-(2-bromophenyl)-1,3-dioxolane has a molecular weight of 229.07 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1,3-dioxolane is sourced from PubChem (CID 553534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).