2-[(4-bromophenyl)methyl]oxolane

C11H13BrO — CID 54351565

IUPAC2-[(4-bromophenyl)methyl]oxolane
SMILESBrc1ccc(CC2CCCO2)cc1
InChIInChI=1S/C11H13BrO/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11H,1-2,7-8H2
InChIKeyJSHSHZCXPHONIA-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.17
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]oxolane

2-[(4-bromophenyl)methyl]oxolane (PubChem CID 54351565) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]oxolane.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]oxolane
PubChem CID54351565
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name2-[(4-bromophenyl)methyl]oxolane
SMILESBrc1ccc(CC2CCCO2)cc1
InChIInChI=1S/C11H13BrO/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11H,1-2,7-8H2
InChIKeyJSHSHZCXPHONIA-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(4-bromophenyl)methyl]oxolane 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)methyl]oxolane?
The IUPAC name of 2-[(4-bromophenyl)methyl]oxolane (CID 54351565) is 2-[(4-bromophenyl)methyl]oxolane.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]oxolane?
The canonical SMILES for 2-[(4-bromophenyl)methyl]oxolane is Brc1ccc(CC2CCCO2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]oxolane?
The InChIKey is JSHSHZCXPHONIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11H,1-2,7-8H2.
What are the key properties of 2-[(4-bromophenyl)methyl]oxolane?
2-[(4-bromophenyl)methyl]oxolane has a molecular weight of 241.13 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]oxolane is sourced from PubChem (CID 54351565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).