2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane

C11H13BrO2 — CID 11010615

IUPAC2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane
SMILESBrc1ccccc1CCC1OCCO1
InChIInChI=1S/C11H13BrO2/c12-10-4-2-1-3-9(10)5-6-11-13-7-8-14-11/h1-4,11H,5-8H2
InChIKeyWCWKTYSFCLCASA-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.75
Rot. Bonds3

About 2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane

2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane (PubChem CID 11010615) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane
PubChem CID11010615
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane
SMILESBrc1ccccc1CCC1OCCO1
InChIInChI=1S/C11H13BrO2/c12-10-4-2-1-3-9(10)5-6-11-13-7-8-14-11/h1-4,11H,5-8H2
InChIKeyWCWKTYSFCLCASA-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane (CID 11010615) is 2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane is Brc1ccccc1CCC1OCCO1.
What is the InChIKey of 2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane?
The InChIKey is WCWKTYSFCLCASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c12-10-4-2-1-3-9(10)5-6-11-13-7-8-14-11/h1-4,11H,5-8H2.
What are the key properties of 2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane?
2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane has a molecular weight of 257.13 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 11010615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).