3-(4-bromo-2-chlorophenoxy)oxetane

C9H8BrClO2 — CID 118058057

IUPAC3-(4-bromo-2-chlorophenoxy)oxetane
SMILESClc1cc(Br)ccc1OC1COC1
InChIInChI=1S/C9H8BrClO2/c10-6-1-2-9(8(11)3-6)13-7-4-12-5-7/h1-3,7H,4-5H2
InChIKeyUYMSKGFNOCRJFA-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.88
Rot. Bonds2

About 3-(4-bromo-2-chlorophenoxy)oxetane

3-(4-bromo-2-chlorophenoxy)oxetane (PubChem CID 118058057) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenoxy)oxetane.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenoxy)oxetane
PubChem CID118058057
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name3-(4-bromo-2-chlorophenoxy)oxetane
SMILESClc1cc(Br)ccc1OC1COC1
InChIInChI=1S/C9H8BrClO2/c10-6-1-2-9(8(11)3-6)13-7-4-12-5-7/h1-3,7H,4-5H2
InChIKeyUYMSKGFNOCRJFA-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(oxetan-3-yloxy)aniline
CID 115669715
3-[(4-bromo-2-chlorophenyl)methoxy]oxetane
CID 102607207
(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
CID 86317840
3-(4-bromo-2-chlorophenoxy)cyclohexan-1-one
CID 79618488
4-[3-chloro-4-(oxetan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117418426
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol
CID 102732484
3-amino-1-[3-chloro-4-(oxetan-3-yloxy)phenyl]propan-1-one
CID 115005377
4-[3-chloro-4-(oxetan-3-yloxy)phenyl]butanoic acid
CID 117429756
3-(3-bromophenoxy)oxetane
CID 83487082
4-bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538
4-(2-chloro-4-methylphenoxy)oxane
CID 58103858

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chlorophenoxy)oxetane?
The IUPAC name of 3-(4-bromo-2-chlorophenoxy)oxetane (CID 118058057) is 3-(4-bromo-2-chlorophenoxy)oxetane.
What is the SMILES notation for 3-(4-bromo-2-chlorophenoxy)oxetane?
The canonical SMILES for 3-(4-bromo-2-chlorophenoxy)oxetane is Clc1cc(Br)ccc1OC1COC1.
What is the InChIKey of 3-(4-bromo-2-chlorophenoxy)oxetane?
The InChIKey is UYMSKGFNOCRJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c10-6-1-2-9(8(11)3-6)13-7-4-12-5-7/h1-3,7H,4-5H2.
What are the key properties of 3-(4-bromo-2-chlorophenoxy)oxetane?
3-(4-bromo-2-chlorophenoxy)oxetane has a molecular weight of 263.52 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenoxy)oxetane is sourced from PubChem (CID 118058057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).