3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol

C10H14O2S — CID 117243175

IUPAC3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol
SMILESCSCC(CO)c1cccc(O)c1
InChIInChI=1S/C10H14O2S/c1-13-7-9(6-11)8-3-2-4-10(12)5-8/h2-5,9,11-12H,6-7H2,1H3
InChIKeyXDQOBYRIXCDUPV-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.83
Rot. Bonds4

About 3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol

3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol (PubChem CID 117243175) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol.

Molecular Properties

Compound Name3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol
PubChem CID117243175
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol
SMILESCSCC(CO)c1cccc(O)c1
InChIInChI=1S/C10H14O2S/c1-13-7-9(6-11)8-3-2-4-10(12)5-8/h2-5,9,11-12H,6-7H2,1H3
InChIKeyXDQOBYRIXCDUPV-UHFFFAOYSA-N
XLogP1.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-hydroxyphenyl)-3-methylsulfanylpropanoate
CID 117243533
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
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3-octan-4-ylphenol
CID 54137408
3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol
CID 117243009
benzene-1,3-diol;propane-1,2-diol
CID 158855100
6-(3-hydroxyphenyl)octan-3-one
CID 83930268
3-hex-5-yn-3-ylphenol
CID 83930314
3-(1-aminoheptan-4-yl)phenol
CID 83930253
3-(1-fluorooctan-4-yl)phenol
CID 145284154
(1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol
CID 55263117
3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
3-[1-[1-(3-hydroxyphenyl)-2,2-dimethylpropyl]sulfanyl-2,2-dimethylpropyl]phenol
CID 141194592

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol?
The IUPAC name of 3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol (CID 117243175) is 3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol.
What is the SMILES notation for 3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol?
The canonical SMILES for 3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol is CSCC(CO)c1cccc(O)c1.
What is the InChIKey of 3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol?
The InChIKey is XDQOBYRIXCDUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-13-7-9(6-11)8-3-2-4-10(12)5-8/h2-5,9,11-12H,6-7H2,1H3.
What are the key properties of 3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol?
3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol has a molecular weight of 198.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol is sourced from PubChem (CID 117243175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).