5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol

C9H12O2S — CID 117279916

IUPAC5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol
SMILESCSc1cc(C)c(O)cc1CO
InChIInChI=1S/C9H12O2S/c1-6-3-9(12-2)7(5-10)4-8(6)11/h3-4,10-11H,5H2,1-2H3
InChIKeyBBQXMPADIGASMP-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.91
Rot. Bonds2

About 5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol

5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol (PubChem CID 117279916) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol
PubChem CID117279916
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol
SMILESCSc1cc(C)c(O)cc1CO
InChIInChI=1S/C9H12O2S/c1-6-3-9(12-2)7(5-10)4-8(6)11/h3-4,10-11H,5H2,1-2H3
InChIKeyBBQXMPADIGASMP-UHFFFAOYSA-N
XLogP1.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol
CID 117302130
5-(2-aminopropan-2-yl)-2-methyl-4-methylsulfanylphenol
CID 117302161
(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 64988118
[2,4-bis(methylsulfanyl)phenyl]methanol
CID 54501035
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070
2-(hydroxymethyl)-5-(4-hydroxy-3-methylphenyl)phenol
CID 130219641
ethyl 2-hydroxy-2-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)acetate
CID 117394397
5-(hydroxymethyl)-4-methylbenzene-1,2,3-triol
CID 123599997
2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol
CID 153496913
5-ethyl-4-fluoro-2-methylphenol
CID 118092212
4,6-bis(hydroxymethyl)benzene-1,3-diol
CID 66920860
2-(hydroxymethyl)-4-methylsulfanylphenol
CID 11789642

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol (CID 117279916) is 5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol is CSc1cc(C)c(O)cc1CO.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol?
The InChIKey is BBQXMPADIGASMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-6-3-9(12-2)7(5-10)4-8(6)11/h3-4,10-11H,5H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol?
5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol has a molecular weight of 184.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-methylsulfanylphenol is sourced from PubChem (CID 117279916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).