4-(5-bromo-2-chlorophenyl)oxane

C11H12BrClO — CID 172993362

IUPAC4-(5-bromo-2-chlorophenyl)oxane
SMILESClc1ccc(Br)cc1C1CCOCC1
InChIInChI=1S/C11H12BrClO/c12-9-1-2-11(13)10(7-9)8-3-5-14-6-4-8/h1-2,7-8H,3-6H2
InChIKeyQQXVOBIVZRUVJA-UHFFFAOYSA-N
MW275.57 g/mol
LogP4.00
Rot. Bonds1

About 4-(5-bromo-2-chlorophenyl)oxane

4-(5-bromo-2-chlorophenyl)oxane (PubChem CID 172993362) has the molecular formula C11H12BrClO and a molecular weight of 275.57 g/mol. Its IUPAC name is 4-(5-bromo-2-chlorophenyl)oxane.

Molecular Properties

Compound Name4-(5-bromo-2-chlorophenyl)oxane
PubChem CID172993362
Molecular FormulaC11H12BrClO
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name4-(5-bromo-2-chlorophenyl)oxane
SMILESClc1ccc(Br)cc1C1CCOCC1
InChIInChI=1S/C11H12BrClO/c12-9-1-2-11(13)10(7-9)8-3-5-14-6-4-8/h1-2,7-8H,3-6H2
InChIKeyQQXVOBIVZRUVJA-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chlorophenyl)oxane?
The IUPAC name of 4-(5-bromo-2-chlorophenyl)oxane (CID 172993362) is 4-(5-bromo-2-chlorophenyl)oxane.
What is the SMILES notation for 4-(5-bromo-2-chlorophenyl)oxane?
The canonical SMILES for 4-(5-bromo-2-chlorophenyl)oxane is Clc1ccc(Br)cc1C1CCOCC1.
What is the InChIKey of 4-(5-bromo-2-chlorophenyl)oxane?
The InChIKey is QQXVOBIVZRUVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO/c12-9-1-2-11(13)10(7-9)8-3-5-14-6-4-8/h1-2,7-8H,3-6H2.
What are the key properties of 4-(5-bromo-2-chlorophenyl)oxane?
4-(5-bromo-2-chlorophenyl)oxane has a molecular weight of 275.57 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-chlorophenyl)oxane is sourced from PubChem (CID 172993362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).