2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol

C12H18O2S — CID 14248926

IUPAC2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol
SMILESCc1cccc(C(CO)SC(C)C)c1O
InChIInChI=1S/C12H18O2S/c1-8(2)15-11(7-13)10-6-4-5-9(3)12(10)14/h4-6,8,11,13-14H,7H2,1-3H3
InChIKeyWPEOOSVSNCTJAJ-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.88
Rot. Bonds4

About 2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol

2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol (PubChem CID 14248926) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol.

Molecular Properties

Compound Name2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol
PubChem CID14248926
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol
SMILESCc1cccc(C(CO)SC(C)C)c1O
InChIInChI=1S/C12H18O2S/c1-8(2)15-11(7-13)10-6-4-5-9(3)12(10)14/h4-6,8,11,13-14H,7H2,1-3H3
InChIKeyWPEOOSVSNCTJAJ-UHFFFAOYSA-N
XLogP2.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1,2-diaminoethyl]-6-methylphenol;hydrochloride
CID 171212487
2-[(1R)-1-amino-4-hydroxybutyl]-6-methylphenol;hydrochloride
CID 171212526
2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
CID 141022269
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
2-(2-bromo-3-methylphenyl)propan-1-ol
CID 117329757
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
2-methyl-6-(2-methylhexan-3-yl)phenol
CID 69129229
2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methylphenol
CID 131543744
3-chloro-1-(2-hydroxy-3-methylphenyl)propane-1,2-diol
CID 171861661
(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
CID 137495606
2-benzhydryl-6-methylphenol
CID 154120751
2-[1-(2-hydroxy-3-methylphenyl)undecyl]-6-methylphenol
CID 135345596

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol?
The IUPAC name of 2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol (CID 14248926) is 2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol.
What is the SMILES notation for 2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol?
The canonical SMILES for 2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol is Cc1cccc(C(CO)SC(C)C)c1O.
What is the InChIKey of 2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol?
The InChIKey is WPEOOSVSNCTJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-8(2)15-11(7-13)10-6-4-5-9(3)12(10)14/h4-6,8,11,13-14H,7H2,1-3H3.
What are the key properties of 2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol?
2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol has a molecular weight of 226.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1-propan-2-ylsulfanylethyl)-6-methylphenol is sourced from PubChem (CID 14248926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).