4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol

C8H9ClO2S — CID 10932603

IUPAC4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol
SMILESCSc1cc(Cl)cc(CO)c1O
InChIInChI=1S/C8H9ClO2S/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-3,10-11H,4H2,1H3
InChIKeyIJIGYZBOIWWYKZ-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.26
Rot. Bonds2

About 4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol

4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol (PubChem CID 10932603) has the molecular formula C8H9ClO2S and a molecular weight of 204.68 g/mol. Its IUPAC name is 4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol.

Molecular Properties

Compound Name4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol
PubChem CID10932603
Molecular FormulaC8H9ClO2S
Molecular Weight204.68 g/mol
Exact Mass204.00
IUPAC Name4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol
SMILESCSc1cc(Cl)cc(CO)c1O
InChIInChI=1S/C8H9ClO2S/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-3,10-11H,4H2,1H3
InChIKeyIJIGYZBOIWWYKZ-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Phenol, 2,2'-thiobis(6-tert-butyl-4-chloro-
CID 201451
2,2'-Sulfanediylbis(4-chloro-6-methylphenol)
CID 23461862
[5-Chloro-2-(difluoromethoxy)-3-methylsulfonylphenyl]methanol
CID 172416139
4-Chloro-2-methyl-6-sulfanylphenol
CID 11052160
4-Chloro-2-hexyl-6-sulfanylphenol
CID 20231474
2-Hydroxy-3-(2-chlorophenylthio)benzyl alcohol
CID 53931639
4-Chloro-2-(3,5-dichloro-2-hydroxyphenyl)sulfanyl-6-methylphenol
CID 71230479
(5-Chloro-2-methoxy-3-sulfanylphenyl)methanol
CID 134260547
(3-(Benzylthio)-5-chloro-2-methoxyphenyl)methanol
CID 138675885
(5-Chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol
CID 138718325
[5-Chloro-3-(hydroxymethyl)-2-methoxyphenyl]-hydroxysulfanium
CID 142286227
(5-Chloro-2-hydroxy-3-methylphenyl) thiohypochlorite
CID 153584169

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol?
The IUPAC name of 4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol (CID 10932603) is 4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol.
What is the SMILES notation for 4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol?
The canonical SMILES for 4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol is CSc1cc(Cl)cc(CO)c1O.
What is the InChIKey of 4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol?
The InChIKey is IJIGYZBOIWWYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2S/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-3,10-11H,4H2,1H3.
What are the key properties of 4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol?
4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol has a molecular weight of 204.68 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(hydroxymethyl)-6-methylsulfanylphenol is sourced from PubChem (CID 10932603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).