3-[(4-bromo-2-chlorophenyl)methoxy]oxetane

C10H10BrClO2 — CID 102607207

IUPAC3-[(4-bromo-2-chlorophenyl)methoxy]oxetane
SMILESClc1cc(Br)ccc1COC1COC1
InChIInChI=1S/C10H10BrClO2/c11-8-2-1-7(10(12)3-8)4-14-9-5-13-6-9/h1-3,9H,4-6H2
InChIKeyIMAJCNGBYKGROX-UHFFFAOYSA-N
MW277.54 g/mol
LogP3.02
Rot. Bonds3

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

3-[(4-bromo-2-chlorophenyl)methoxy]oxetane (PubChem CID 102607207) has the molecular formula C10H10BrClO2 and a molecular weight of 277.54 g/mol. Its IUPAC name is 3-[(4-bromo-2-chlorophenyl)methoxy]oxetane.

Molecular Properties

Compound Name3-[(4-bromo-2-chlorophenyl)methoxy]oxetane
PubChem CID102607207
Molecular FormulaC10H10BrClO2
Molecular Weight277.54 g/mol
Exact Mass275.96
IUPAC Name3-[(4-bromo-2-chlorophenyl)methoxy]oxetane
SMILESClc1cc(Br)ccc1COC1COC1
InChIInChI=1S/C10H10BrClO2/c11-8-2-1-7(10(12)3-8)4-14-9-5-13-6-9/h1-3,9H,4-6H2
InChIKeyIMAJCNGBYKGROX-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-chlorophenyl)methoxy]oxetane?
The IUPAC name of 3-[(4-bromo-2-chlorophenyl)methoxy]oxetane (CID 102607207) is 3-[(4-bromo-2-chlorophenyl)methoxy]oxetane.
What is the SMILES notation for 3-[(4-bromo-2-chlorophenyl)methoxy]oxetane?
The canonical SMILES for 3-[(4-bromo-2-chlorophenyl)methoxy]oxetane is Clc1cc(Br)ccc1COC1COC1.
What is the InChIKey of 3-[(4-bromo-2-chlorophenyl)methoxy]oxetane?
The InChIKey is IMAJCNGBYKGROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c11-8-2-1-7(10(12)3-8)4-14-9-5-13-6-9/h1-3,9H,4-6H2.
What are the key properties of 3-[(4-bromo-2-chlorophenyl)methoxy]oxetane?
3-[(4-bromo-2-chlorophenyl)methoxy]oxetane has a molecular weight of 277.54 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-chlorophenyl)methoxy]oxetane is sourced from PubChem (CID 102607207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).