4-(2-hydroxyphenyl)sulfonyl-2-methylphenol

C13H12O4S — CID 101301578

IUPAC4-(2-hydroxyphenyl)sulfonyl-2-methylphenol
SMILESCc1cc(S(=O)(=O)c2ccccc2O)ccc1O
InChIInChI=1S/C13H12O4S/c1-9-8-10(6-7-11(9)14)18(16,17)13-5-3-2-4-12(13)15/h2-8,14-15H,1H3
InChIKeyJCCPSUUONZNNKA-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.24
Rot. Bonds2

About 4-(2-hydroxyphenyl)sulfonyl-2-methylphenol

4-(2-hydroxyphenyl)sulfonyl-2-methylphenol (PubChem CID 101301578) has the molecular formula C13H12O4S and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)sulfonyl-2-methylphenol.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)sulfonyl-2-methylphenol
PubChem CID101301578
Molecular FormulaC13H12O4S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name4-(2-hydroxyphenyl)sulfonyl-2-methylphenol
SMILESCc1cc(S(=O)(=O)c2ccccc2O)ccc1O
InChIInChI=1S/C13H12O4S/c1-9-8-10(6-7-11(9)14)18(16,17)13-5-3-2-4-12(13)15/h2-8,14-15H,1H3
InChIKeyJCCPSUUONZNNKA-UHFFFAOYSA-N
XLogP2.24
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)sulfonylphenol
CID 10879464
4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol
CID 20719205
3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol
CID 101301893
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
silver 4-hydroxy-3-methylbenzenesulfonate
CID 174992481
4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methyl-3,6-diphenylphenol
CID 22237238
2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol
CID 19349285
2-(2-hydroxyphenyl)sulfonyl-3-methylphenol
CID 101301572
formaldehyde;2-(2-hydroxyphenyl)sulfonylphenol
CID 6452549
2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol
CID 19349207
4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol
CID 101301636
4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol
CID 19710946

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)sulfonyl-2-methylphenol?
The IUPAC name of 4-(2-hydroxyphenyl)sulfonyl-2-methylphenol (CID 101301578) is 4-(2-hydroxyphenyl)sulfonyl-2-methylphenol.
What is the SMILES notation for 4-(2-hydroxyphenyl)sulfonyl-2-methylphenol?
The canonical SMILES for 4-(2-hydroxyphenyl)sulfonyl-2-methylphenol is Cc1cc(S(=O)(=O)c2ccccc2O)ccc1O.
What is the InChIKey of 4-(2-hydroxyphenyl)sulfonyl-2-methylphenol?
The InChIKey is JCCPSUUONZNNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4S/c1-9-8-10(6-7-11(9)14)18(16,17)13-5-3-2-4-12(13)15/h2-8,14-15H,1H3.
What are the key properties of 4-(2-hydroxyphenyl)sulfonyl-2-methylphenol?
4-(2-hydroxyphenyl)sulfonyl-2-methylphenol has a molecular weight of 264.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)sulfonyl-2-methylphenol is sourced from PubChem (CID 101301578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).