2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde

C10H7BrO3 — CID 83900980

IUPAC2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde
SMILESO=CCc1cc2oc(Br)cc2cc1O
InChIInChI=1S/C10H7BrO3/c11-10-5-7-3-8(13)6(1-2-12)4-9(7)14-10/h2-5,13H,1H2
InChIKeySJQRMLHFHVWDDJ-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.64
Rot. Bonds2

About 2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde

2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde (PubChem CID 83900980) has the molecular formula C10H7BrO3 and a molecular weight of 255.07 g/mol. Its IUPAC name is 2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde
PubChem CID83900980
Molecular FormulaC10H7BrO3
Molecular Weight255.07 g/mol
Exact Mass253.96
IUPAC Name2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde
SMILESO=CCc1cc2oc(Br)cc2cc1O
InChIInChI=1S/C10H7BrO3/c11-10-5-7-3-8(13)6(1-2-12)4-9(7)14-10/h2-5,13H,1H2
InChIKeySJQRMLHFHVWDDJ-UHFFFAOYSA-N
XLogP2.64
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.64
H-Bond Donors ≤ 51
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 2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde?
The IUPAC name of 2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde (CID 83900980) is 2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde.
What is the SMILES notation for 2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde?
The canonical SMILES for 2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde is O=CCc1cc2oc(Br)cc2cc1O.
What is the InChIKey of 2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde?
The InChIKey is SJQRMLHFHVWDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO3/c11-10-5-7-3-8(13)6(1-2-12)4-9(7)14-10/h2-5,13H,1H2.
What are the key properties of 2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde?
2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde has a molecular weight of 255.07 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde is sourced from PubChem (CID 83900980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).