1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol

C13H20O2S — CID 116829986

IUPAC1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol
SMILESCOc1cc(C)c(C(O)CS)cc1C(C)C
InChIInChI=1S/C13H20O2S/c1-8(2)10-6-11(12(14)7-16)9(3)5-13(10)15-4/h5-6,8,12,14,16H,7H2,1-4H3
InChIKeyZZNUMIHBULFAGJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.09
Rot. Bonds4

About 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol

1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol (PubChem CID 116829986) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol.

Molecular Properties

Compound Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol
PubChem CID116829986
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol
SMILESCOc1cc(C)c(C(O)CS)cc1C(C)C
InChIInChI=1S/C13H20O2S/c1-8(2)10-6-11(12(14)7-16)9(3)5-13(10)15-4/h5-6,8,12,14,16H,7H2,1-4H3
InChIKeyZZNUMIHBULFAGJ-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-4-methoxy-2-methylphenyl)-2-sulfanylethanol
CID 116829994
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954652
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfanylacetonitrile
CID 116853795
2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol
CID 116942367
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfanylacetaldehyde
CID 177025539
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethylhydrazine
CID 82473084
5-chloro-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentanoic acid
CID 66618720
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 116934324
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(1-methylcyclopropyl)methanamine
CID 82296040
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]ethanethiol
CID 115223937

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol?
The IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol (CID 116829986) is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol.
What is the SMILES notation for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol?
The canonical SMILES for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol is COc1cc(C)c(C(O)CS)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol?
The InChIKey is ZZNUMIHBULFAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-8(2)10-6-11(12(14)7-16)9(3)5-13(10)15-4/h5-6,8,12,14,16H,7H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol?
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol has a molecular weight of 240.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol is sourced from PubChem (CID 116829986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).