2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol

C14H14O4S — CID 101301738

IUPAC2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol
SMILESCc1cc(O)cc(S(=O)(=O)c2cccc(C)c2O)c1
InChIInChI=1S/C14H14O4S/c1-9-6-11(15)8-12(7-9)19(17,18)13-5-3-4-10(2)14(13)16/h3-8,15-16H,1-2H3
InChIKeyIDZDGWRIRSBAMK-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.55
Rot. Bonds2

About 2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol

2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol (PubChem CID 101301738) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol.

Molecular Properties

Compound Name2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol
PubChem CID101301738
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol
SMILESCc1cc(O)cc(S(=O)(=O)c2cccc(C)c2O)c1
InChIInChI=1S/C14H14O4S/c1-9-6-11(15)8-12(7-9)19(17,18)13-5-3-4-10(2)14(13)16/h3-8,15-16H,1-2H3
InChIKeyIDZDGWRIRSBAMK-UHFFFAOYSA-N
XLogP2.55
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol 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-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol?
The IUPAC name of 2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol (CID 101301738) is 2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol.
What is the SMILES notation for 2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol?
The canonical SMILES for 2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol is Cc1cc(O)cc(S(=O)(=O)c2cccc(C)c2O)c1.
What is the InChIKey of 2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol?
The InChIKey is IDZDGWRIRSBAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9-6-11(15)8-12(7-9)19(17,18)13-5-3-4-10(2)14(13)16/h3-8,15-16H,1-2H3.
What are the key properties of 2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol?
2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol has a molecular weight of 278.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol is sourced from PubChem (CID 101301738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).