3-[(4-bromophenyl)methoxy]azetidine

C10H12BrNO — CID 53409423

IUPAC3-[(4-bromophenyl)methoxy]azetidine
SMILESBrc1ccc(COC2CNC2)cc1
InChIInChI=1S/C10H12BrNO/c11-9-3-1-8(2-4-9)7-13-10-5-12-6-10/h1-4,10,12H,5-7H2
InChIKeyADYNSXIYNSNTQY-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.94
Rot. Bonds3

About 3-[(4-bromophenyl)methoxy]azetidine

3-[(4-bromophenyl)methoxy]azetidine (PubChem CID 53409423) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]azetidine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]azetidine
PubChem CID53409423
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name3-[(4-bromophenyl)methoxy]azetidine
SMILESBrc1ccc(COC2CNC2)cc1
InChIInChI=1S/C10H12BrNO/c11-9-3-1-8(2-4-9)7-13-10-5-12-6-10/h1-4,10,12H,5-7H2
InChIKeyADYNSXIYNSNTQY-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]azetidine?
The IUPAC name of 3-[(4-bromophenyl)methoxy]azetidine (CID 53409423) is 3-[(4-bromophenyl)methoxy]azetidine.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]azetidine?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]azetidine is Brc1ccc(COC2CNC2)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]azetidine?
The InChIKey is ADYNSXIYNSNTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-9-3-1-8(2-4-9)7-13-10-5-12-6-10/h1-4,10,12H,5-7H2.
What are the key properties of 3-[(4-bromophenyl)methoxy]azetidine?
3-[(4-bromophenyl)methoxy]azetidine has a molecular weight of 242.12 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]azetidine is sourced from PubChem (CID 53409423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).