3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine

C16H15BrClNO2 — CID 58405184

IUPAC3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine
SMILESClc1cccc(COc2cc(Br)ccc2OC2CNC2)c1
InChIInChI=1S/C16H15BrClNO2/c17-12-4-5-15(21-14-8-19-9-14)16(7-12)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2
InChIKeyINEZIHCLJJUUPB-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.03
Rot. Bonds5

About 3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine

3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine (PubChem CID 58405184) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine.

Molecular Properties

Compound Name3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine
PubChem CID58405184
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine
SMILESClc1cccc(COc2cc(Br)ccc2OC2CNC2)c1
InChIInChI=1S/C16H15BrClNO2/c17-12-4-5-15(21-14-8-19-9-14)16(7-12)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2
InChIKeyINEZIHCLJJUUPB-UHFFFAOYSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine?
The IUPAC name of 3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine (CID 58405184) is 3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine.
What is the SMILES notation for 3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine?
The canonical SMILES for 3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine is Clc1cccc(COc2cc(Br)ccc2OC2CNC2)c1.
What is the InChIKey of 3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine?
The InChIKey is INEZIHCLJJUUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c17-12-4-5-15(21-14-8-19-9-14)16(7-12)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2.
What are the key properties of 3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine?
3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine has a molecular weight of 368.66 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]azetidine is sourced from PubChem (CID 58405184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).