5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol

C10H14O2S — CID 117288024

IUPAC5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol
SMILESCSc1ccc(C(C)(C)O)cc1O
InChIInChI=1S/C10H14O2S/c1-10(2,12)7-4-5-9(13-3)8(11)6-7/h4-6,11-12H,1-3H3
InChIKeyPHDZKMTUTWJTIE-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.34
Rot. Bonds2

About 5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol

5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol (PubChem CID 117288024) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol
PubChem CID117288024
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol
SMILESCSc1ccc(C(C)(C)O)cc1O
InChIInChI=1S/C10H14O2S/c1-10(2,12)7-4-5-9(13-3)8(11)6-7/h4-6,11-12H,1-3H3
InChIKeyPHDZKMTUTWJTIE-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol
CID 117303256
2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol
CID 117303270
5-bromo-2-methylsulfanylphenol
CID 21187949
2-[3-bromo-4,5-bis(methylsulfanyl)phenyl]propan-2-ol
CID 117492252
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol
CID 84672129
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate
CID 175409961
2-tert-butyl-5-methylsulfanylbenzene-1,4-diol
CID 71342649
2-fluoro-5-(2-hydroxypropan-2-yl)-3-methylphenol
CID 117279863
3,7-bis(methylsulfanyl)naphthalene-2,6-diol
CID 125484767
2-(4-fluorophenyl)propan-2-ol
CID 637733

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol (CID 117288024) is 5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol is CSc1ccc(C(C)(C)O)cc1O.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol?
The InChIKey is PHDZKMTUTWJTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-10(2,12)7-4-5-9(13-3)8(11)6-7/h4-6,11-12H,1-3H3.
What are the key properties of 5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol?
5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol has a molecular weight of 198.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol is sourced from PubChem (CID 117288024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).