2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde

C8H6BrClO2 — CID 146451496

IUPAC2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1c(Br)ccc(Cl)c1O
InChIInChI=1S/C8H6BrClO2/c9-6-1-2-7(10)8(12)5(6)3-4-11/h1-2,4,12H,3H2
InChIKeyZERGZNYSYGCEMZ-UHFFFAOYSA-N
MW249.49 g/mol
LogP2.55
Rot. Bonds2

About 2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde

2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde (PubChem CID 146451496) has the molecular formula C8H6BrClO2 and a molecular weight of 249.49 g/mol. Its IUPAC name is 2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde
PubChem CID146451496
Molecular FormulaC8H6BrClO2
Molecular Weight249.49 g/mol
Exact Mass247.92
IUPAC Name2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1c(Br)ccc(Cl)c1O
InChIInChI=1S/C8H6BrClO2/c9-6-1-2-7(10)8(12)5(6)3-4-11/h1-2,4,12H,3H2
InChIKeyZERGZNYSYGCEMZ-UHFFFAOYSA-N
XLogP2.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Chloro-6-fluoro-2-hydroxyphenyl)acetaldehyde
CID 146451502
2-(5-Bromo-3-chloro-2-hydroxyphenyl)acetaldehyde
CID 83900355
2-(3-Chloro-2-hydroxyphenyl)acetaldehyde
CID 87370378
2-(4-Bromo-5-chloro-2-hydroxyphenyl)acetaldehyde
CID 89852804
2-Allyl-3-bromo-6-chlorophenol
CID 90190738
6-Bromo-3-chloro-2-hydroxybenzaldehyde
CID 122200676
1-(6-bromo-3-chloro-2-hydroxyphenyl)Ethanone
CID 131292998
2-Bromo-5-chloro-4-hydroxybenzaldehyde
CID 131336332
3-Bromo-6-chloro-2-(2-oxiranylmethyl)phenol
CID 139328847
2-(4-Bromo-3-chloro-2-hydroxyphenyl)acetaldehyde
CID 146451638
3-Bromo-6-chloro-2-(2-hydroxyethyl)phenol
CID 168873996
1-(4-Bromo-3-chloro-2-hydroxyphenyl)propan-2-one
CID 84807229

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde (CID 146451496) is 2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde is O=CCc1c(Br)ccc(Cl)c1O.
What is the InChIKey of 2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde?
The InChIKey is ZERGZNYSYGCEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO2/c9-6-1-2-7(10)8(12)5(6)3-4-11/h1-2,4,12H,3H2.
What are the key properties of 2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde?
2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde has a molecular weight of 249.49 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 146451496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).