2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol

C10H14O2S — CID 117288033

IUPAC2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol
SMILESCSc1ccc(C)c(O)c1C(C)O
InChIInChI=1S/C10H14O2S/c1-6-4-5-8(13-3)9(7(2)11)10(6)12/h4-5,7,11-12H,1-3H3
InChIKeyCWLINOZBMHNAPR-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.48
Rot. Bonds2

About 2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol

2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol (PubChem CID 117288033) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol
PubChem CID117288033
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol
SMILESCSc1ccc(C)c(O)c1C(C)O
InChIInChI=1S/C10H14O2S/c1-6-4-5-8(13-3)9(7(2)11)10(6)12/h4-5,7,11-12H,1-3H3
InChIKeyCWLINOZBMHNAPR-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxy-3-methyl-6-methylsulfanylphenyl)-2-oxoacetic acid
CID 117325468
2,3-bis(1-hydroxyethyl)-4-methylphenol
CID 22486739
2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol
CID 130059979
3-(2-hydroxy-3-methyl-6-methylsulfanylphenyl)-2-methylpropanoic acid
CID 117353734
2-[(1S)-1-aminoethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253947
2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805
3,6-dimethyl-2-[(1S)-1-(methylamino)ethyl]phenol
CID 130692005
2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol
CID 117299504
2-bromo-3-(1-hydroxyethyl)-6-methylphenol
CID 117333512
2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol
CID 117382283
3-fluoro-6-methylsulfanylbenzene-1,2-diol;2-methylpropane
CID 142524524
(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol
CID 143190021

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol?
The IUPAC name of 2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol (CID 117288033) is 2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol.
What is the SMILES notation for 2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol?
The canonical SMILES for 2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol is CSc1ccc(C)c(O)c1C(C)O.
What is the InChIKey of 2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol?
The InChIKey is CWLINOZBMHNAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-6-4-5-8(13-3)9(7(2)11)10(6)12/h4-5,7,11-12H,1-3H3.
What are the key properties of 2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol?
2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol has a molecular weight of 198.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol is sourced from PubChem (CID 117288033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).