3-(4-hydroxyphenyl)sulfonyl-2-methylphenol

C13H12O4S — CID 101301592

IUPAC3-(4-hydroxyphenyl)sulfonyl-2-methylphenol
SMILESCc1c(O)cccc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H12O4S/c1-9-12(15)3-2-4-13(9)18(16,17)11-7-5-10(14)6-8-11/h2-8,14-15H,1H3
InChIKeyGZNHACNYUJNUJN-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.24
Rot. Bonds2

About 3-(4-hydroxyphenyl)sulfonyl-2-methylphenol

3-(4-hydroxyphenyl)sulfonyl-2-methylphenol (PubChem CID 101301592) has the molecular formula C13H12O4S and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)sulfonyl-2-methylphenol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)sulfonyl-2-methylphenol
PubChem CID101301592
Molecular FormulaC13H12O4S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name3-(4-hydroxyphenyl)sulfonyl-2-methylphenol
SMILESCc1c(O)cccc1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H12O4S/c1-9-12(15)3-2-4-13(9)18(16,17)11-7-5-10(14)6-8-11/h2-8,14-15H,1H3
InChIKeyGZNHACNYUJNUJN-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)sulfonyl-2-methylphenol?
The IUPAC name of 3-(4-hydroxyphenyl)sulfonyl-2-methylphenol (CID 101301592) is 3-(4-hydroxyphenyl)sulfonyl-2-methylphenol.
What is the SMILES notation for 3-(4-hydroxyphenyl)sulfonyl-2-methylphenol?
The canonical SMILES for 3-(4-hydroxyphenyl)sulfonyl-2-methylphenol is Cc1c(O)cccc1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)sulfonyl-2-methylphenol?
The InChIKey is GZNHACNYUJNUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4S/c1-9-12(15)3-2-4-13(9)18(16,17)11-7-5-10(14)6-8-11/h2-8,14-15H,1H3.
What are the key properties of 3-(4-hydroxyphenyl)sulfonyl-2-methylphenol?
3-(4-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 3-(4-hydroxyphenyl)sulfonyl-2-methylphenol is sourced from PubChem (CID 101301592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).