4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol

C16H18O4S — CID 139679371

IUPAC4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol
SMILESCc1ccc(C(C)(CO)S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H18O4S/c1-12-3-5-13(6-4-12)16(2,11-17)21(19,20)15-9-7-14(18)8-10-15/h3-10,17-18H,11H2,1-2H3
InChIKeyUQYXLCIUFNPOAE-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.38
Rot. Bonds4

About 4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol

4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol (PubChem CID 139679371) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol
PubChem CID139679371
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol
SMILESCc1ccc(C(C)(CO)S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H18O4S/c1-12-3-5-13(6-4-12)16(2,11-17)21(19,20)15-9-7-14(18)8-10-15/h3-10,17-18H,11H2,1-2H3
InChIKeyUQYXLCIUFNPOAE-UHFFFAOYSA-N
XLogP2.38
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
4-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]phenol
CID 145421044
bis(4-(4-methylphenyl)sulfonylphenol);molecular hydrogen;hydrochloride
CID 160552688
1-methyl-4-(tribromomethylsulfonyl)benzene
CID 562875
2,2-difluoropropane-1,3-diol;4-methylbenzenesulfonic acid
CID 175571921
1-(1,1-diiodoethylsulfonyl)-4-methylbenzene
CID 54291723
4-methylphenol
CID 70549076
2,2-bis(hydroxymethyl)propane-1,3-diol;tetrakis(4-methylbenzenesulfonic acid)
CID 86591834
4-(trifluoromethylsulfonyl)phenol
CID 14857426
1-methyl-4-(1,1,2,2,2-pentafluoroethylsulfonyl)benzene
CID 53429734
4-methylbenzenesulfonate;2,2,2-trifluoroethanol
CID 131722453
4-[2-(4-methylphenyl)sulfonylethyl]phenol
CID 141218535

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol?
The IUPAC name of 4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol (CID 139679371) is 4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol.
What is the SMILES notation for 4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol?
The canonical SMILES for 4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol is Cc1ccc(C(C)(CO)S(=O)(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol?
The InChIKey is UQYXLCIUFNPOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-12-3-5-13(6-4-12)16(2,11-17)21(19,20)15-9-7-14(18)8-10-15/h3-10,17-18H,11H2,1-2H3.
What are the key properties of 4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol?
4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol has a molecular weight of 306.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(4-methylphenyl)propan-2-yl]sulfonylphenol is sourced from PubChem (CID 139679371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).