2,4-dichloro-6-phenylphenol

C12H8Cl2O — CID 21419

IUPAC2,4-dichloro-6-phenylphenol
SMILESOc1c(Cl)cc(Cl)cc1-c1ccccc1
InChIInChI=1S/C12H8Cl2O/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7,15H
InChIKeyAFXPPGXJWHJULD-UHFFFAOYSA-N
MW239.10 g/mol
LogP4.37
Rot. Bonds1

About 2,4-dichloro-6-phenylphenol

2,4-dichloro-6-phenylphenol (PubChem CID 21419) has the molecular formula C12H8Cl2O and a molecular weight of 239.10 g/mol. Its IUPAC name is 2,4-dichloro-6-phenylphenol.

Molecular Properties

Compound Name2,4-dichloro-6-phenylphenol
PubChem CID21419
Molecular FormulaC12H8Cl2O
Molecular Weight239.10 g/mol
Exact Mass238.00
IUPAC Name2,4-dichloro-6-phenylphenol
SMILESOc1c(Cl)cc(Cl)cc1-c1ccccc1
InChIInChI=1S/C12H8Cl2O/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7,15H
InChIKeyAFXPPGXJWHJULD-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4-dichloro-6-phenylphenol 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-dichloro-6-phenylphenol?
The IUPAC name of 2,4-dichloro-6-phenylphenol (CID 21419) is 2,4-dichloro-6-phenylphenol.
What is the SMILES notation for 2,4-dichloro-6-phenylphenol?
The canonical SMILES for 2,4-dichloro-6-phenylphenol is Oc1c(Cl)cc(Cl)cc1-c1ccccc1.
What is the InChIKey of 2,4-dichloro-6-phenylphenol?
The InChIKey is AFXPPGXJWHJULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7,15H.
What are the key properties of 2,4-dichloro-6-phenylphenol?
2,4-dichloro-6-phenylphenol has a molecular weight of 239.10 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-phenylphenol is sourced from PubChem (CID 21419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).