2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol

C17H20O3S — CID 129016729

IUPAC2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol
SMILESCOc1cc(C)cc(-c2ccc(C(C)(C)S)cc2O)c1O
InChIInChI=1S/C17H20O3S/c1-10-7-13(16(19)15(8-10)20-4)12-6-5-11(9-14(12)18)17(2,3)21/h5-9,18-19,21H,1-4H3
InChIKeyWGYMAXMCQJRKDC-UHFFFAOYSA-N
MW304.41 g/mol
LogP4.25
Rot. Bonds3

About 2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol

2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol (PubChem CID 129016729) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol.

Molecular Properties

Compound Name2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol
PubChem CID129016729
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol
SMILESCOc1cc(C)cc(-c2ccc(C(C)(C)S)cc2O)c1O
InChIInChI=1S/C17H20O3S/c1-10-7-13(16(19)15(8-10)20-4)12-6-5-11(9-14(12)18)17(2,3)21/h5-9,18-19,21H,1-4H3
InChIKeyWGYMAXMCQJRKDC-UHFFFAOYSA-N
XLogP4.25
TPSA49.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol?
The IUPAC name of 2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol (CID 129016729) is 2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol.
What is the SMILES notation for 2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol?
The canonical SMILES for 2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol is COc1cc(C)cc(-c2ccc(C(C)(C)S)cc2O)c1O.
What is the InChIKey of 2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol?
The InChIKey is WGYMAXMCQJRKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c1-10-7-13(16(19)15(8-10)20-4)12-6-5-11(9-14(12)18)17(2,3)21/h5-9,18-19,21H,1-4H3.
What are the key properties of 2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol?
2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol has a molecular weight of 304.41 g/mol, XLogP of 4.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol is sourced from PubChem (CID 129016729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).