2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol

C14H12Br2O4S — CID 147932232

IUPAC2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol
SMILESCc1cc(Br)c(O)c(S(=O)(=O)c2cc(C)c(O)c(Br)c2)c1
InChIInChI=1S/C14H12Br2O4S/c1-7-3-10(15)14(18)12(4-7)21(19,20)9-5-8(2)13(17)11(16)6-9/h3-6,17-18H,1-2H3
InChIKeyIKCCFAHSXIEDHJ-UHFFFAOYSA-N
MW436.12 g/mol
LogP4.07
Rot. Bonds2

About 2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol

2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol (PubChem CID 147932232) has the molecular formula C14H12Br2O4S and a molecular weight of 436.12 g/mol. Its IUPAC name is 2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol.

Molecular Properties

Compound Name2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol
PubChem CID147932232
Molecular FormulaC14H12Br2O4S
Molecular Weight436.12 g/mol
Exact Mass433.88
IUPAC Name2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol
SMILESCc1cc(Br)c(O)c(S(=O)(=O)c2cc(C)c(O)c(Br)c2)c1
InChIInChI=1S/C14H12Br2O4S/c1-7-3-10(15)14(18)12(4-7)21(19,20)9-5-8(2)13(17)11(16)6-9/h3-6,17-18H,1-2H3
InChIKeyIKCCFAHSXIEDHJ-UHFFFAOYSA-N
XLogP4.07
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.12
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylphenyl)sulfonyl-2,6-dimethylbenzene-1,3-diol
CID 87589159
6-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302115
5-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,3,4-trimethylphenol
CID 101302190
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
CID 158449164
2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylphenol
CID 101301738
5-(4-hydroxy-2,5-dimethylphenyl)sulfonyl-2,3-dimethylphenol
CID 101302047
4-hydroxy-3,5-dimethylbenzenesulfonyl chloride
CID 15710042
4-hydroxy-3,5-dimethylbenzenesulfonyl fluoride
CID 130033661
CID 131880702
CID 131880702
2-bromo-6-ethenyl-4-methylphenol
CID 177021092
4-(2-hydroxy-6-methylphenyl)sulfonyl-2,6-dimethylphenol
CID 101301909
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 23386525

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol?
The IUPAC name of 2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol (CID 147932232) is 2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol.
What is the SMILES notation for 2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol?
The canonical SMILES for 2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol is Cc1cc(Br)c(O)c(S(=O)(=O)c2cc(C)c(O)c(Br)c2)c1.
What is the InChIKey of 2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol?
The InChIKey is IKCCFAHSXIEDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O4S/c1-7-3-10(15)14(18)12(4-7)21(19,20)9-5-8(2)13(17)11(16)6-9/h3-6,17-18H,1-2H3.
What are the key properties of 2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol?
2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol has a molecular weight of 436.12 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-bromo-4-hydroxy-5-methylphenyl)sulfonyl-4-methylphenol is sourced from PubChem (CID 147932232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).