3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol

C14H14O4S — CID 101301613

IUPAC3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol
SMILESCc1ccc(S(=O)(=O)c2ccccc2O)c(C)c1O
InChIInChI=1S/C14H14O4S/c1-9-7-8-12(10(2)14(9)16)19(17,18)13-6-4-3-5-11(13)15/h3-8,15-16H,1-2H3
InChIKeyBPVBQAHMHHMTOR-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.55
Rot. Bonds2

About 3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol

3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol (PubChem CID 101301613) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol
PubChem CID101301613
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol
SMILESCc1ccc(S(=O)(=O)c2ccccc2O)c(C)c1O
InChIInChI=1S/C14H14O4S/c1-9-7-8-12(10(2)14(9)16)19(17,18)13-6-4-3-5-11(13)15/h3-8,15-16H,1-2H3
InChIKeyBPVBQAHMHHMTOR-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 3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-hydroxy-3-methylphenyl)sulfonyl-2,6-dimethylphenol
CID 101301834
3-(2-hydroxy-4,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
CID 101301972
formaldehyde;2-(2-hydroxyphenyl)sulfonylphenol
CID 6452549
3-(3-hydroxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfinylphenol
CID 118679346
2-(2-hydroxyphenyl)sulfonyl-3-methylphenol
CID 101301572
2-(4-methylphenyl)sulfonylphenol
CID 10879464
4-(2-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301578
3-(2-hydroxy-3,4-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302128
4-methyl-3-(2-methylphenyl)sulfonylbenzene-1,2-diol
CID 101301646
3-(2-hydroxy-3,6-dimethylphenyl)sulfonyl-2,5,6-trimethylphenol
CID 101302130
5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol
CID 101301695
benzene-1,2,3-triol;tris(2-methylbenzenesulfonic acid)
CID 175309354

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol?
The IUPAC name of 3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol (CID 101301613) is 3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol.
What is the SMILES notation for 3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol?
The canonical SMILES for 3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol is Cc1ccc(S(=O)(=O)c2ccccc2O)c(C)c1O.
What is the InChIKey of 3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol?
The InChIKey is BPVBQAHMHHMTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9-7-8-12(10(2)14(9)16)19(17,18)13-6-4-3-5-11(13)15/h3-8,15-16H,1-2H3.
What are the key properties of 3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol?
3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol 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 3-(2-hydroxyphenyl)sulfonyl-2,6-dimethylphenol is sourced from PubChem (CID 101301613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).