2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde

C13H7F3O2 — CID 53220480

IUPAC2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2c(F)cc(F)cc2F)cc1O
InChIInChI=1S/C13H7F3O2/c14-9-4-10(15)13(11(16)5-9)7-1-2-8(6-17)12(18)3-7/h1-6,18H
InChIKeyYZHXUPNOZCJGLE-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.29
Rot. Bonds2

About 2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde

2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde (PubChem CID 53220480) has the molecular formula C13H7F3O2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde
PubChem CID53220480
Molecular FormulaC13H7F3O2
Molecular Weight252.19 g/mol
Exact Mass252.04
IUPAC Name2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2c(F)cc(F)cc2F)cc1O
InChIInChI=1S/C13H7F3O2/c14-9-4-10(15)13(11(16)5-9)7-1-2-8(6-17)12(18)3-7/h1-6,18H
InChIKeyYZHXUPNOZCJGLE-UHFFFAOYSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde 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-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde?
The IUPAC name of 2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde (CID 53220480) is 2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde is O=Cc1ccc(-c2c(F)cc(F)cc2F)cc1O.
What is the InChIKey of 2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde?
The InChIKey is YZHXUPNOZCJGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O2/c14-9-4-10(15)13(11(16)5-9)7-1-2-8(6-17)12(18)3-7/h1-6,18H.
What are the key properties of 2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde?
2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde has a molecular weight of 252.19 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde is sourced from PubChem (CID 53220480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).