2-[(2-bromophenyl)methoxy]oxane

C12H15BrO2 — CID 5315026

IUPAC2-[(2-bromophenyl)methoxy]oxane
SMILESBrc1ccccc1COC1CCCCO1
InChIInChI=1S/C12H15BrO2/c13-11-6-2-1-5-10(11)9-15-12-7-3-4-8-14-12/h1-2,5-6,12H,3-4,7-9H2
InChIKeyRTKKOPXYLQWHBJ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.49
Rot. Bonds3

About 2-[(2-bromophenyl)methoxy]oxane

2-[(2-bromophenyl)methoxy]oxane (PubChem CID 5315026) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]oxane
PubChem CID5315026
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-[(2-bromophenyl)methoxy]oxane
SMILESBrc1ccccc1COC1CCCCO1
InChIInChI=1S/C12H15BrO2/c13-11-6-2-1-5-10(11)9-15-12-7-3-4-8-14-12/h1-2,5-6,12H,3-4,7-9H2
InChIKeyRTKKOPXYLQWHBJ-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]oxane?
The IUPAC name of 2-[(2-bromophenyl)methoxy]oxane (CID 5315026) is 2-[(2-bromophenyl)methoxy]oxane.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]oxane?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]oxane is Brc1ccccc1COC1CCCCO1.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]oxane?
The InChIKey is RTKKOPXYLQWHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c13-11-6-2-1-5-10(11)9-15-12-7-3-4-8-14-12/h1-2,5-6,12H,3-4,7-9H2.
What are the key properties of 2-[(2-bromophenyl)methoxy]oxane?
2-[(2-bromophenyl)methoxy]oxane has a molecular weight of 271.15 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]oxane is sourced from PubChem (CID 5315026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).