4-(2-methylpropyl)-2-methylsulfinylphenol

C11H16O2S — CID 56631448

IUPAC4-(2-methylpropyl)-2-methylsulfinylphenol
SMILESCC(C)Cc1ccc(O)c(S(C)=O)c1
InChIInChI=1S/C11H16O2S/c1-8(2)6-9-4-5-10(12)11(7-9)14(3)13/h4-5,7-8,12H,6H2,1-3H3
InChIKeyATMRSKUDHJLEOV-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.33
Rot. Bonds3

About 4-(2-methylpropyl)-2-methylsulfinylphenol

4-(2-methylpropyl)-2-methylsulfinylphenol (PubChem CID 56631448) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-methylsulfinylphenol.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-methylsulfinylphenol
PubChem CID56631448
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name4-(2-methylpropyl)-2-methylsulfinylphenol
SMILESCC(C)Cc1ccc(O)c(S(C)=O)c1
InChIInChI=1S/C11H16O2S/c1-8(2)6-9-4-5-10(12)11(7-9)14(3)13/h4-5,7-8,12H,6H2,1-3H3
InChIKeyATMRSKUDHJLEOV-UHFFFAOYSA-N
XLogP2.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(2-methylpropyl)phenol;hydrobromide
CID 162312266
1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol
CID 86090992
4-(3,4-dihydroxyphenyl)-3-methylbutan-2-one
CID 77410272
1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene
CID 139793494
4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]ethyl]benzene-1,2-diol
CID 70877694
4-(2-nitropropyl)benzene-1,2-diol
CID 24721336
4-[[4-hydroxy-3-(2-methylpropyl)phenyl]methyl]-2-(2-methylpropyl)phenol
CID 22003355
4-(2-aminopropyl)benzene-1,2-diol;ethane
CID 169229376
4-[2-(dimethylamino)propyl]benzene-1,2-diol;hydrobromide
CID 90672352
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
4-[(3R)-2-amino-3-hydroxybutyl]benzene-1,2-diol
CID 163849778
4-[3-[(3,4-dihydroxyphenyl)methyl]-2-ethylpentyl]benzene-1,2-diol
CID 159514166

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-methylsulfinylphenol?
The IUPAC name of 4-(2-methylpropyl)-2-methylsulfinylphenol (CID 56631448) is 4-(2-methylpropyl)-2-methylsulfinylphenol.
What is the SMILES notation for 4-(2-methylpropyl)-2-methylsulfinylphenol?
The canonical SMILES for 4-(2-methylpropyl)-2-methylsulfinylphenol is CC(C)Cc1ccc(O)c(S(C)=O)c1.
What is the InChIKey of 4-(2-methylpropyl)-2-methylsulfinylphenol?
The InChIKey is ATMRSKUDHJLEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-8(2)6-9-4-5-10(12)11(7-9)14(3)13/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-2-methylsulfinylphenol?
4-(2-methylpropyl)-2-methylsulfinylphenol has a molecular weight of 212.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-methylsulfinylphenol is sourced from PubChem (CID 56631448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).