4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol

C14H14O4S — CID 101301636

IUPAC4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol
SMILESCc1cc(S(=O)(=O)c2cccc(O)c2)c(C)cc1O
InChIInChI=1S/C14H14O4S/c1-9-7-14(10(2)6-13(9)16)19(17,18)12-5-3-4-11(15)8-12/h3-8,15-16H,1-2H3
InChIKeyVRMSWUWZPJOYJV-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.55
Rot. Bonds2

About 4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol

4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol (PubChem CID 101301636) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol
PubChem CID101301636
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol
SMILESCc1cc(S(=O)(=O)c2cccc(O)c2)c(C)cc1O
InChIInChI=1S/C14H14O4S/c1-9-7-14(10(2)6-13(9)16)19(17,18)12-5-3-4-11(15)8-12/h3-8,15-16H,1-2H3
InChIKeyVRMSWUWZPJOYJV-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

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Related Compounds

4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol
CID 101301917
2-(3-hydroxyphenyl)sulfonyl-5-methylphenol
CID 101301580
3-(3-hydroxyphenyl)sulfonylphenol;zinc
CID 70457337
3-(3-methylphenyl)sulfonylphenol
CID 134285490
5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol
CID 101302047
N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide
CID 23312094
4-(2-hydroxyphenyl)sulfonyl-2-methylphenol
CID 101301578
5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol
CID 174567949
3-(4-hydroxy-3-methylphenyl)sulfonyl-4,5-dimethylphenol
CID 101301893
2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol
CID 101301757
3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol?
The IUPAC name of 4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol (CID 101301636) is 4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol.
What is the SMILES notation for 4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol?
The canonical SMILES for 4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol is Cc1cc(S(=O)(=O)c2cccc(O)c2)c(C)cc1O.
What is the InChIKey of 4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol?
The InChIKey is VRMSWUWZPJOYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9-7-14(10(2)6-13(9)16)19(17,18)12-5-3-4-11(15)8-12/h3-8,15-16H,1-2H3.
What are the key properties of 4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol?
4-(3-hydroxyphenyl)sulfonyl-2,5-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 4-(3-hydroxyphenyl)sulfonyl-2,5-dimethylphenol is sourced from PubChem (CID 101301636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).