2-(6-bromohexoxy)dibenzofuran

C18H19BrO2 — CID 102246595

IUPAC2-(6-bromohexoxy)dibenzofuran
SMILESBrCCCCCCOc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H19BrO2/c19-11-5-1-2-6-12-20-14-9-10-18-16(13-14)15-7-3-4-8-17(15)21-18/h3-4,7-10,13H,1-2,5-6,11-12H2
InChIKeyCQOJLMHSIRYWOM-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.92
Rot. Bonds7

About 2-(6-bromohexoxy)dibenzofuran

2-(6-bromohexoxy)dibenzofuran (PubChem CID 102246595) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 2-(6-bromohexoxy)dibenzofuran.

Molecular Properties

Compound Name2-(6-bromohexoxy)dibenzofuran
PubChem CID102246595
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name2-(6-bromohexoxy)dibenzofuran
SMILESBrCCCCCCOc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H19BrO2/c19-11-5-1-2-6-12-20-14-9-10-18-16(13-14)15-7-3-4-8-17(15)21-18/h3-4,7-10,13H,1-2,5-6,11-12H2
InChIKeyCQOJLMHSIRYWOM-UHFFFAOYSA-N
XLogP5.92
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromohexoxy)dibenzofuran?
The IUPAC name of 2-(6-bromohexoxy)dibenzofuran (CID 102246595) is 2-(6-bromohexoxy)dibenzofuran.
What is the SMILES notation for 2-(6-bromohexoxy)dibenzofuran?
The canonical SMILES for 2-(6-bromohexoxy)dibenzofuran is BrCCCCCCOc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-(6-bromohexoxy)dibenzofuran?
The InChIKey is CQOJLMHSIRYWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c19-11-5-1-2-6-12-20-14-9-10-18-16(13-14)15-7-3-4-8-17(15)21-18/h3-4,7-10,13H,1-2,5-6,11-12H2.
What are the key properties of 2-(6-bromohexoxy)dibenzofuran?
2-(6-bromohexoxy)dibenzofuran has a molecular weight of 347.25 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromohexoxy)dibenzofuran is sourced from PubChem (CID 102246595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).