5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol

C11H16O2S — CID 117303256

IUPAC5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol
SMILESCSc1ccc(C(C)(C)CO)cc1O
InChIInChI=1S/C11H16O2S/c1-11(2,7-12)8-4-5-10(14-3)9(13)6-8/h4-6,12-13H,7H2,1-3H3
InChIKeyGUOAWVVPXDZNOG-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.38
Rot. Bonds3

About 5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol

5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol (PubChem CID 117303256) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol.

Molecular Properties

Compound Name5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol
PubChem CID117303256
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol
SMILESCSc1ccc(C(C)(C)CO)cc1O
InChIInChI=1S/C11H16O2S/c1-11(2,7-12)8-4-5-10(14-3)9(13)6-8/h4-6,12-13H,7H2,1-3H3
InChIKeyGUOAWVVPXDZNOG-UHFFFAOYSA-N
XLogP2.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol?
The IUPAC name of 5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol (CID 117303256) is 5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol.
What is the SMILES notation for 5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol?
The canonical SMILES for 5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol is CSc1ccc(C(C)(C)CO)cc1O.
What is the InChIKey of 5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol?
The InChIKey is GUOAWVVPXDZNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-11(2,7-12)8-4-5-10(14-3)9(13)6-8/h4-6,12-13H,7H2,1-3H3.
What are the key properties of 5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol?
5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol has a molecular weight of 212.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol is sourced from PubChem (CID 117303256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).