3-(4-bromo-2-phenylphenoxy)azetidine

C15H14BrNO — CID 56777510

IUPAC3-(4-bromo-2-phenylphenoxy)azetidine
SMILESBrc1ccc(OC2CNC2)c(-c2ccccc2)c1
InChIInChI=1S/C15H14BrNO/c16-12-6-7-15(18-13-9-17-10-13)14(8-12)11-4-2-1-3-5-11/h1-8,13,17H,9-10H2
InChIKeyYELVSCGZHBWKFV-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.47
Rot. Bonds3

About 3-(4-bromo-2-phenylphenoxy)azetidine

3-(4-bromo-2-phenylphenoxy)azetidine (PubChem CID 56777510) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 3-(4-bromo-2-phenylphenoxy)azetidine.

Molecular Properties

Compound Name3-(4-bromo-2-phenylphenoxy)azetidine
PubChem CID56777510
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name3-(4-bromo-2-phenylphenoxy)azetidine
SMILESBrc1ccc(OC2CNC2)c(-c2ccccc2)c1
InChIInChI=1S/C15H14BrNO/c16-12-6-7-15(18-13-9-17-10-13)14(8-12)11-4-2-1-3-5-11/h1-8,13,17H,9-10H2
InChIKeyYELVSCGZHBWKFV-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S,4R)-4-(4-bromo-2-phenylphenoxy)pyrrolidine-2-carboxylate
CID 98006864
3-(4-bromo-2-methylphenoxy)azetidine
CID 24902314
3-[5-bromo-2-(2-fluoro-1-phenylethoxy)phenoxy]azetidine
CID 58405125
3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride
CID 56830904
3-(4-bromo-2-ethylphenoxy)azetidine
CID 53409294
3-[(4-bromo-2-phenylphenoxy)methyl]pyrrolidine;hydrochloride
CID 56829708
3-(1,6-dibromonaphthalen-2-yl)oxyazetidine
CID 53409373
4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride
CID 56830778
3-(2,4-dibromophenoxy)pyrrolidine
CID 53409181
3-[5-bromo-2-(3-fluorophenoxy)phenoxy]azetidine
CID 46215135
3-(2,4-dibromophenoxy)piperidine;hydrochloride
CID 53409178
3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine
CID 46204081

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-phenylphenoxy)azetidine?
The IUPAC name of 3-(4-bromo-2-phenylphenoxy)azetidine (CID 56777510) is 3-(4-bromo-2-phenylphenoxy)azetidine.
What is the SMILES notation for 3-(4-bromo-2-phenylphenoxy)azetidine?
The canonical SMILES for 3-(4-bromo-2-phenylphenoxy)azetidine is Brc1ccc(OC2CNC2)c(-c2ccccc2)c1.
What is the InChIKey of 3-(4-bromo-2-phenylphenoxy)azetidine?
The InChIKey is YELVSCGZHBWKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-12-6-7-15(18-13-9-17-10-13)14(8-12)11-4-2-1-3-5-11/h1-8,13,17H,9-10H2.
What are the key properties of 3-(4-bromo-2-phenylphenoxy)azetidine?
3-(4-bromo-2-phenylphenoxy)azetidine has a molecular weight of 304.19 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-phenylphenoxy)azetidine is sourced from PubChem (CID 56777510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).