2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol

C15H16O3S — CID 129015641

IUPAC2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol
SMILESCc1cc(OS)c(O)c(-c2cc(C)c(C)cc2O)c1
InChIInChI=1S/C15H16O3S/c1-8-4-12(15(17)14(5-8)18-19)11-6-9(2)10(3)7-13(11)16/h4-7,16-17,19H,1-3H3
InChIKeyAUKANWQAXZLCSS-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.91
Rot. Bonds2

About 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol

2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol (PubChem CID 129015641) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol.

Molecular Properties

Compound Name2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol
PubChem CID129015641
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol
SMILESCc1cc(OS)c(O)c(-c2cc(C)c(C)cc2O)c1
InChIInChI=1S/C15H16O3S/c1-8-4-12(15(17)14(5-8)18-19)11-6-9(2)10(3)7-13(11)16/h4-7,16-17,19H,1-3H3
InChIKeyAUKANWQAXZLCSS-UHFFFAOYSA-N
XLogP3.91
TPSA49.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxy-4-methyl-5-propylphenyl)-6-methoxy-4-methylphenol
CID 118644032
2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol
CID 129016729
2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol
CID 101179885
2-(3-hydroxy-5-methylphenyl)-4,5-dimethylphenol
CID 101299256
2-[2-hydroxy-5-(hydroxymethyl)-3-sulfanyloxyphenyl]-4-(hydroxymethyl)-6-methoxyphenol
CID 139407134
2-(4-hydroxy-2-methylphenyl)-4,6-dimethylphenol
CID 101299267
2-[5-(2-hydroxy-5-methoxy-4-methylphenyl)-2,4-dimethoxyphenyl]-4-methoxy-5-methylphenol
CID 132572459
2-(1-hydroxy-4,5-dimethoxy-7-methylnaphthalen-2-yl)-4,5-dimethoxy-7-methylnaphthalen-1-ol
CID 101353677
6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol
CID 101299573
2-bromo-4-methyl-6-(4-methylphenoxy)phenol
CID 101049595
2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol
CID 150395203
2,4-dimethyl-6-(2,3,5-trimethylphenyl)phenol
CID 90291954

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol?
The IUPAC name of 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol (CID 129015641) is 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol.
What is the SMILES notation for 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol?
The canonical SMILES for 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol is Cc1cc(OS)c(O)c(-c2cc(C)c(C)cc2O)c1.
What is the InChIKey of 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol?
The InChIKey is AUKANWQAXZLCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-8-4-12(15(17)14(5-8)18-19)11-6-9(2)10(3)7-13(11)16/h4-7,16-17,19H,1-3H3.
What are the key properties of 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol?
2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol has a molecular weight of 276.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol is sourced from PubChem (CID 129015641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).