2-(4-bromo-2-hydroxyphenyl)acetaldehyde

C8H7BrO2 — CID 87308306

IUPAC2-(4-bromo-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1ccc(Br)cc1O
InChIInChI=1S/C8H7BrO2/c9-7-2-1-6(3-4-10)8(11)5-7/h1-2,4-5,11H,3H2
InChIKeyOXLYCUZKKDISLO-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.90
Rot. Bonds2

About 2-(4-bromo-2-hydroxyphenyl)acetaldehyde

2-(4-bromo-2-hydroxyphenyl)acetaldehyde (PubChem CID 87308306) has the molecular formula C8H7BrO2 and a molecular weight of 215.05 g/mol. Its IUPAC name is 2-(4-bromo-2-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-bromo-2-hydroxyphenyl)acetaldehyde
PubChem CID87308306
Molecular FormulaC8H7BrO2
Molecular Weight215.05 g/mol
Exact Mass213.96
IUPAC Name2-(4-bromo-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1ccc(Br)cc1O
InChIInChI=1S/C8H7BrO2/c9-7-2-1-6(3-4-10)8(11)5-7/h1-2,4-5,11H,3H2
InChIKeyOXLYCUZKKDISLO-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-bromo-2-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(4-bromo-2-hydroxyphenyl)acetaldehyde (CID 87308306) is 2-(4-bromo-2-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-bromo-2-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(4-bromo-2-hydroxyphenyl)acetaldehyde is O=CCc1ccc(Br)cc1O.
What is the InChIKey of 2-(4-bromo-2-hydroxyphenyl)acetaldehyde?
The InChIKey is OXLYCUZKKDISLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2/c9-7-2-1-6(3-4-10)8(11)5-7/h1-2,4-5,11H,3H2.
What are the key properties of 2-(4-bromo-2-hydroxyphenyl)acetaldehyde?
2-(4-bromo-2-hydroxyphenyl)acetaldehyde has a molecular weight of 215.05 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 87308306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).