2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol

C21H20Cl2O5S — CID 175474826

IUPAC2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol
SMILESCCCS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2.C9H10Cl2O3S/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2-3-15(13,14)6-4-7(10)9(12)8(11)5-6/h1-8,13-14H;4-5,12H,2-3H2,1H3
InChIKeyFLTNFKFYPJSICB-UHFFFAOYSA-N
MW455.36 g/mol
LogP5.65
Rot. Bonds4

About 2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol

2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol (PubChem CID 175474826) has the molecular formula C21H20Cl2O5S and a molecular weight of 455.36 g/mol. Its IUPAC name is 2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol
PubChem CID175474826
Molecular FormulaC21H20Cl2O5S
Molecular Weight455.36 g/mol
Exact Mass454.04
IUPAC Name2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol
SMILESCCCS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2.C9H10Cl2O3S/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2-3-15(13,14)6-4-7(10)9(12)8(11)5-6/h1-8,13-14H;4-5,12H,2-3H2,1H3
InChIKeyFLTNFKFYPJSICB-UHFFFAOYSA-N
XLogP5.65
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.36
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol 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 2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol?
The IUPAC name of 2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol (CID 175474826) is 2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol?
The canonical SMILES for 2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol is CCCS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1.Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol?
The InChIKey is FLTNFKFYPJSICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C9H10Cl2O3S/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2-3-15(13,14)6-4-7(10)9(12)8(11)5-6/h1-8,13-14H;4-5,12H,2-3H2,1H3.
What are the key properties of 2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol?
2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol has a molecular weight of 455.36 g/mol, XLogP of 5.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-propylsulfonylphenol;4-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 175474826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).