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

C8H6ClFO2 — CID 59299255

IUPAC2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde
SMILESO=CCc1ccc(Cl)c(O)c1F
InChIInChI=1S/C8H6ClFO2/c9-6-2-1-5(3-4-11)7(10)8(6)12/h1-2,4,12H,3H2
InChIKeyHCIKSPOBEKJFHV-UHFFFAOYSA-N
MW188.59 g/mol
LogP1.93
Rot. Bonds2

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

2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde (PubChem CID 59299255) has the molecular formula C8H6ClFO2 and a molecular weight of 188.59 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde
PubChem CID59299255
Molecular FormulaC8H6ClFO2
Molecular Weight188.59 g/mol
Exact Mass188.00
IUPAC Name2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde
SMILESO=CCc1ccc(Cl)c(O)c1F
InChIInChI=1S/C8H6ClFO2/c9-6-2-1-5(3-4-11)7(10)8(6)12/h1-2,4,12H,3H2
InChIKeyHCIKSPOBEKJFHV-UHFFFAOYSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.59
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde (CID 59299255) is 2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde is O=CCc1ccc(Cl)c(O)c1F.
What is the InChIKey of 2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde?
The InChIKey is HCIKSPOBEKJFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO2/c9-6-2-1-5(3-4-11)7(10)8(6)12/h1-2,4,12H,3H2.
What are the key properties of 2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde?
2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde has a molecular weight of 188.59 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 59299255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).