2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol

C16H18O4S — CID 21480883

IUPAC2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol
SMILESCc1cc(O)c(Sc2c(O)cc(C)c(O)c2C)c(C)c1O
InChIInChI=1S/C16H18O4S/c1-7-5-11(17)15(9(3)13(7)19)21-16-10(4)14(20)8(2)6-12(16)18/h5-6,17-20H,1-4H3
InChIKeyHYQBOHGHOFKKEB-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.89
Rot. Bonds2

About 2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol

2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol (PubChem CID 21480883) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol
PubChem CID21480883
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol
SMILESCc1cc(O)c(Sc2c(O)cc(C)c(O)c2C)c(C)c1O
InChIInChI=1S/C16H18O4S/c1-7-5-11(17)15(9(3)13(7)19)21-16-10(4)14(20)8(2)6-12(16)18/h5-6,17-20H,1-4H3
InChIKeyHYQBOHGHOFKKEB-UHFFFAOYSA-N
XLogP3.89
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol?
The IUPAC name of 2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol (CID 21480883) is 2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol.
What is the SMILES notation for 2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol?
The canonical SMILES for 2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol is Cc1cc(O)c(Sc2c(O)cc(C)c(O)c2C)c(C)c1O.
What is the InChIKey of 2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol?
The InChIKey is HYQBOHGHOFKKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-7-5-11(17)15(9(3)13(7)19)21-16-10(4)14(20)8(2)6-12(16)18/h5-6,17-20H,1-4H3.
What are the key properties of 2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol?
2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol has a molecular weight of 306.38 g/mol, XLogP of 3.89, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydroxy-2,4-dimethylphenyl)sulfanyl-3,5-dimethylbenzene-1,4-diol is sourced from PubChem (CID 21480883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).