3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane

C11H13BrO3 — CID 116875930

IUPAC3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane
SMILESCOc1ccc(Br)cc1C1(OC)COC1
InChIInChI=1S/C11H13BrO3/c1-13-10-4-3-8(12)5-9(10)11(14-2)6-15-7-11/h3-5H,6-7H2,1-2H3
InChIKeyXBXFEWJFJMOSGJ-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.33
Rot. Bonds3

About 3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane

3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane (PubChem CID 116875930) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane
PubChem CID116875930
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane
SMILESCOc1ccc(Br)cc1C1(OC)COC1
InChIInChI=1S/C11H13BrO3/c1-13-10-4-3-8(12)5-9(10)11(14-2)6-15-7-11/h3-5H,6-7H2,1-2H3
InChIKeyXBXFEWJFJMOSGJ-UHFFFAOYSA-N
XLogP2.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-(4-methoxy-2,3-dimethylphenyl)oxetane
CID 116875962
[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874725
ethyl 3-(5-bromo-2-methoxyphenyl)oxetane-3-carboxylate
CID 116875798
1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropane-1-carboxylic acid
CID 116874689
methyl 2-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]acetate
CID 116873444
3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]-2,2-dimethylpropan-1-amine
CID 116870417
3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]pyrrolidine
CID 116870863
4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene
CID 10684359
4-bromo-2-(3-methoxyoxetan-3-yl)pyridine
CID 164878079
3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine
CID 83693943
N-(5-bromo-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185194
3-[(5-bromo-2-methoxyphenyl)methyl]oxetane-3-carbonitrile
CID 116929943

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane (CID 116875930) is 3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane is COc1ccc(Br)cc1C1(OC)COC1.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane?
The InChIKey is XBXFEWJFJMOSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-13-10-4-3-8(12)5-9(10)11(14-2)6-15-7-11/h3-5H,6-7H2,1-2H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane?
3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane has a molecular weight of 273.13 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane is sourced from PubChem (CID 116875930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).