5-bromo-2-(oxolan-2-yloxy)benzaldehyde

C11H11BrO3 — CID 121221842

IUPAC5-bromo-2-(oxolan-2-yloxy)benzaldehyde
SMILESO=Cc1cc(Br)ccc1OC1CCCO1
InChIInChI=1S/C11H11BrO3/c12-9-3-4-10(8(6-9)7-13)15-11-2-1-5-14-11/h3-4,6-7,11H,1-2,5H2
InChIKeyGJZVNGUSSJTWEQ-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.78
Rot. Bonds3

About 5-bromo-2-(oxolan-2-yloxy)benzaldehyde

5-bromo-2-(oxolan-2-yloxy)benzaldehyde (PubChem CID 121221842) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-bromo-2-(oxolan-2-yloxy)benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-(oxolan-2-yloxy)benzaldehyde
PubChem CID121221842
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name5-bromo-2-(oxolan-2-yloxy)benzaldehyde
SMILESO=Cc1cc(Br)ccc1OC1CCCO1
InChIInChI=1S/C11H11BrO3/c12-9-3-4-10(8(6-9)7-13)15-11-2-1-5-14-11/h3-4,6-7,11H,1-2,5H2
InChIKeyGJZVNGUSSJTWEQ-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxolan-2-yloxy)benzaldehyde?
The IUPAC name of 5-bromo-2-(oxolan-2-yloxy)benzaldehyde (CID 121221842) is 5-bromo-2-(oxolan-2-yloxy)benzaldehyde.
What is the SMILES notation for 5-bromo-2-(oxolan-2-yloxy)benzaldehyde?
The canonical SMILES for 5-bromo-2-(oxolan-2-yloxy)benzaldehyde is O=Cc1cc(Br)ccc1OC1CCCO1.
What is the InChIKey of 5-bromo-2-(oxolan-2-yloxy)benzaldehyde?
The InChIKey is GJZVNGUSSJTWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c12-9-3-4-10(8(6-9)7-13)15-11-2-1-5-14-11/h3-4,6-7,11H,1-2,5H2.
What are the key properties of 5-bromo-2-(oxolan-2-yloxy)benzaldehyde?
5-bromo-2-(oxolan-2-yloxy)benzaldehyde has a molecular weight of 271.11 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxolan-2-yloxy)benzaldehyde is sourced from PubChem (CID 121221842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).