2-(hydroxymethyl)-4-methylsulfanylphenol

C8H10O2S — CID 11789642

IUPAC2-(hydroxymethyl)-4-methylsulfanylphenol
SMILESCSc1ccc(O)c(CO)c1
InChIInChI=1S/C8H10O2S/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,9-10H,5H2,1H3
InChIKeyFFZMECXFDGAEHI-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.61
Rot. Bonds2

About 2-(hydroxymethyl)-4-methylsulfanylphenol

2-(hydroxymethyl)-4-methylsulfanylphenol (PubChem CID 11789642) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methylsulfanylphenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methylsulfanylphenol
PubChem CID11789642
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-(hydroxymethyl)-4-methylsulfanylphenol
SMILESCSc1ccc(O)c(CO)c1
InChIInChI=1S/C8H10O2S/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,9-10H,5H2,1H3
InChIKeyFFZMECXFDGAEHI-UHFFFAOYSA-N
XLogP1.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2,4-bis(methylsulfanyl)phenyl]methanol
CID 54501035
2-(hydroxymethyl)-5-methylsulfanylbenzonitrile
CID 91881430
4,6-bis(hydroxymethyl)benzene-1,3-diol
CID 66920860
2-(4-hydroxyphenyl)-4-methylsulfanylphenol
CID 54170592
2-bromo-1-[2-(hydroxymethyl)-4-methylsulfanylphenyl]propan-1-one
CID 170838047
2-(isocyanatomethyl)-5-methylsulfanylphenol
CID 117285414
2-methoxy-4-methylsulfanylphenol
CID 11423824
2-(hydroxymethyl)-4-(methylamino)phenol
CID 15333568
4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol
CID 139631748
2-[(methoxyamino)methyl]-5-methylsulfanylphenol
CID 117288786
2-(1-amino-2-fluoroethyl)-4-methylsulfanylphenol
CID 130059847
4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol
CID 163710554

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methylsulfanylphenol?
The IUPAC name of 2-(hydroxymethyl)-4-methylsulfanylphenol (CID 11789642) is 2-(hydroxymethyl)-4-methylsulfanylphenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-methylsulfanylphenol?
The canonical SMILES for 2-(hydroxymethyl)-4-methylsulfanylphenol is CSc1ccc(O)c(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-4-methylsulfanylphenol?
The InChIKey is FFZMECXFDGAEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,9-10H,5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-methylsulfanylphenol?
2-(hydroxymethyl)-4-methylsulfanylphenol has a molecular weight of 170.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methylsulfanylphenol is sourced from PubChem (CID 11789642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).