2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde

C8H5BrClFO2 — CID 88540346

IUPAC2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1cc(Cl)c(F)c(Br)c1O
InChIInChI=1S/C8H5BrClFO2/c9-6-7(11)5(10)3-4(1-2-12)8(6)13/h2-3,13H,1H2
InChIKeyIUGPBRCSGBKTJK-UHFFFAOYSA-N
MW267.48 g/mol
LogP2.69
Rot. Bonds2

About 2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde

2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde (PubChem CID 88540346) has the molecular formula C8H5BrClFO2 and a molecular weight of 267.48 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde
PubChem CID88540346
Molecular FormulaC8H5BrClFO2
Molecular Weight267.48 g/mol
Exact Mass265.91
IUPAC Name2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1cc(Cl)c(F)c(Br)c1O
InChIInChI=1S/C8H5BrClFO2/c9-6-7(11)5(10)3-4(1-2-12)8(6)13/h2-3,13H,1H2
InChIKeyIUGPBRCSGBKTJK-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde (CID 88540346) is 2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde is O=CCc1cc(Cl)c(F)c(Br)c1O.
What is the InChIKey of 2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde?
The InChIKey is IUGPBRCSGBKTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO2/c9-6-7(11)5(10)3-4(1-2-12)8(6)13/h2-3,13H,1H2.
What are the key properties of 2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde?
2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde has a molecular weight of 267.48 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 88540346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).