2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol

C11H16O2S — CID 117303270

IUPAC2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(C)O)cc1SC
InChIInChI=1S/C11H16O2S/c1-11(2,12)8-5-6-9(13-3)10(7-8)14-4/h5-7,12H,1-4H3
InChIKeyONEMHICJHFUMOF-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol

2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol (PubChem CID 117303270) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol
PubChem CID117303270
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(C)O)cc1SC
InChIInChI=1S/C11H16O2S/c1-11(2,12)8-5-6-9(13-3)10(7-8)14-4/h5-7,12H,1-4H3
InChIKeyONEMHICJHFUMOF-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 58551068
5-(2-hydroxypropan-2-yl)-2-methylsulfanylphenol
CID 117288024
ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
CID 145081687
4-iodo-1-methoxy-2-methylsulfanylbenzene
CID 164895361
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
1-(4-methoxy-3-methylsulfanylphenyl)-2-methylpropan-2-amine
CID 117324234
2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117362849
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
N-(4-methoxy-3-methylsulfanylphenyl)acetamide
CID 593064
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 167358991
2-[3-(2-methoxy-5-propan-2-ylphenyl)phenyl]propan-2-ol
CID 165115865

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol?
The IUPAC name of 2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol (CID 117303270) is 2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol?
The canonical SMILES for 2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol is COc1ccc(C(C)(C)O)cc1SC.
What is the InChIKey of 2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol?
The InChIKey is ONEMHICJHFUMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-11(2,12)8-5-6-9(13-3)10(7-8)14-4/h5-7,12H,1-4H3.
What are the key properties of 2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol?
2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol has a molecular weight of 212.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol is sourced from PubChem (CID 117303270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).