1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol

C11H16O2S — CID 117303281

IUPAC1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
SMILESCOc1cc(SC)ccc1CC(C)O
InChIInChI=1S/C11H16O2S/c1-8(12)6-9-4-5-10(14-3)7-11(9)13-2/h4-5,7-8,12H,6H2,1-3H3
InChIKeyFKWRZTDETRJXDM-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.34
Rot. Bonds4

About 1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol

1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol (PubChem CID 117303281) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
PubChem CID117303281
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
SMILESCOc1cc(SC)ccc1CC(C)O
InChIInChI=1S/C11H16O2S/c1-8(12)6-9-4-5-10(14-3)7-11(9)13-2/h4-5,7-8,12H,6H2,1-3H3
InChIKeyFKWRZTDETRJXDM-UHFFFAOYSA-N
XLogP2.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol
CID 117286502
N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine
CID 117304523
1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
CID 117305462
3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 91881318
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-ol
CID 117300594
ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate
CID 91881373
2-methoxy-4-methylsulfanylphenol
CID 11423824
2-(bromomethyl)-1-methoxy-4-methylsulfanylbenzene
CID 142016625
5-(2-hydroxypropyl)-2,4-dimethoxyphenol
CID 117303005

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol?
The IUPAC name of 1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol (CID 117303281) is 1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol is COc1cc(SC)ccc1CC(C)O.
What is the InChIKey of 1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol?
The InChIKey is FKWRZTDETRJXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-8(12)6-9-4-5-10(14-3)7-11(9)13-2/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of 1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol?
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol has a molecular weight of 212.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol is sourced from PubChem (CID 117303281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).