4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde

C13H8Cl2O3 — CID 23656594

IUPAC4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
SMILESO=Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C13H8Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-7,17H
InChIKeyGKHZEXMYTPRFKV-UHFFFAOYSA-N
MW283.11 g/mol
LogP4.30
Rot. Bonds3

About 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde

4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde (PubChem CID 23656594) has the molecular formula C13H8Cl2O3 and a molecular weight of 283.11 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
PubChem CID23656594
Molecular FormulaC13H8Cl2O3
Molecular Weight283.11 g/mol
Exact Mass281.99
IUPAC Name4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
SMILESO=Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C13H8Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-7,17H
InChIKeyGKHZEXMYTPRFKV-UHFFFAOYSA-N
XLogP4.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde 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 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde?
The IUPAC name of 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde (CID 23656594) is 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde is O=Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde?
The InChIKey is GKHZEXMYTPRFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-7,17H.
What are the key properties of 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde?
4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde has a molecular weight of 283.11 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde is sourced from PubChem (CID 23656594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).