4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol

C16H18O4S — CID 101302006

IUPAC4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(O)c(C)c2C)c(O)c1
InChIInChI=1S/C16H18O4S/c1-9-7-10(2)16(14(18)8-9)21(19,20)15-6-5-13(17)11(3)12(15)4/h5-8,17-18H,1-4H3
InChIKeyUUEMKMRMBSAENC-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.16
Rot. Bonds2

About 4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol

4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol (PubChem CID 101302006) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol.

Molecular Properties

Compound Name4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol
PubChem CID101302006
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(O)c(C)c2C)c(O)c1
InChIInChI=1S/C16H18O4S/c1-9-7-10(2)16(14(18)8-9)21(19,20)15-6-5-13(17)11(3)12(15)4/h5-8,17-18H,1-4H3
InChIKeyUUEMKMRMBSAENC-UHFFFAOYSA-N
XLogP3.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxy-5-methylphenyl)sulfonyl-2,3-dimethylphenol
CID 101301912
2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol
CID 19349207
4-hydroxy-2,3-dimethylbenzenesulfonic acid
CID 3020229
5-(6-hydroxy-2,3-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302151
CID 6366018
CID 6366018
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
2-(4-hydroxy-2-methylphenyl)sulfonyl-3-methylphenol
CID 101301757
2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol
CID 19349285
4-(4-hydroxy-2,6-dimethylphenyl)sulfonyl-2,3,6-trimethylphenol
CID 101302217
2-(2-hydroxy-3,4,5-trimethylphenyl)sulfonyl-3,4,5-trimethylphenol
CID 101302224
4-(4-hydroxy-2,3,5-trimethylphenyl)sulfonyl-2,3,5,6-tetramethylphenol
CID 101302303
5-methyl-4-(3-methylphenyl)sulfonylbenzene-1,3-diol
CID 101301651

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol?
The IUPAC name of 4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol (CID 101302006) is 4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol.
What is the SMILES notation for 4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol?
The canonical SMILES for 4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol is Cc1cc(C)c(S(=O)(=O)c2ccc(O)c(C)c2C)c(O)c1.
What is the InChIKey of 4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol?
The InChIKey is UUEMKMRMBSAENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-9-7-10(2)16(14(18)8-9)21(19,20)15-6-5-13(17)11(3)12(15)4/h5-8,17-18H,1-4H3.
What are the key properties of 4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol?
4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol has a molecular weight of 306.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-4,6-dimethylphenyl)sulfonyl-2,3-dimethylphenol is sourced from PubChem (CID 101302006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).