3-phenoxyazetidine;hydrochloride

C9H12ClNO — CID 18526446

IUPAC3-phenoxyazetidine;hydrochloride
SMILESCl.c1ccc(OC2CNC2)cc1
InChIInChI=1S/C9H11NO.ClH/c1-2-4-8(5-3-1)11-9-6-10-7-9;/h1-5,9-10H,6-7H2;1H
InChIKeyBDSCNJYDEAUDGY-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.46
Rot. Bonds2

About 3-phenoxyazetidine;hydrochloride

3-phenoxyazetidine;hydrochloride (PubChem CID 18526446) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3-phenoxyazetidine;hydrochloride.

Molecular Properties

Compound Name3-phenoxyazetidine;hydrochloride
PubChem CID18526446
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3-phenoxyazetidine;hydrochloride
SMILESCl.c1ccc(OC2CNC2)cc1
InChIInChI=1S/C9H11NO.ClH/c1-2-4-8(5-3-1)11-9-6-10-7-9;/h1-5,9-10H,6-7H2;1H
InChIKeyBDSCNJYDEAUDGY-UHFFFAOYSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxyazetidine;hydrochloride?
The IUPAC name of 3-phenoxyazetidine;hydrochloride (CID 18526446) is 3-phenoxyazetidine;hydrochloride.
What is the SMILES notation for 3-phenoxyazetidine;hydrochloride?
The canonical SMILES for 3-phenoxyazetidine;hydrochloride is Cl.c1ccc(OC2CNC2)cc1.
What is the InChIKey of 3-phenoxyazetidine;hydrochloride?
The InChIKey is BDSCNJYDEAUDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c1-2-4-8(5-3-1)11-9-6-10-7-9;/h1-5,9-10H,6-7H2;1H.
What are the key properties of 3-phenoxyazetidine;hydrochloride?
3-phenoxyazetidine;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxyazetidine;hydrochloride is sourced from PubChem (CID 18526446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).