2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol

C12H18O2S — CID 116852570

IUPAC2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol
SMILESCOc1cc(C)cc(C)c1SC(C)CO
InChIInChI=1S/C12H18O2S/c1-8-5-9(2)12(11(6-8)14-4)15-10(3)7-13/h5-6,10,13H,7H2,1-4H3
InChIKeyIGEODQAQXDQTTG-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.78
Rot. Bonds4

About 2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol

2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol (PubChem CID 116852570) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol
PubChem CID116852570
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol
SMILESCOc1cc(C)cc(C)c1SC(C)CO
InChIInChI=1S/C12H18O2S/c1-8-5-9(2)12(11(6-8)14-4)15-10(3)7-13/h5-6,10,13H,7H2,1-4H3
InChIKeyIGEODQAQXDQTTG-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropanoic acid
CID 116852443
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116945650
2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-ol
CID 115659543
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 116911605
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
CID 106680616
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylbutan-1-ol
CID 106682562
2-(3-bromo-2-methylpropyl)-1-methoxy-3,5-dimethylbenzene
CID 106681362
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol
CID 55277238
2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol?
The IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol (CID 116852570) is 2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol?
The canonical SMILES for 2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol is COc1cc(C)cc(C)c1SC(C)CO.
What is the InChIKey of 2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol?
The InChIKey is IGEODQAQXDQTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-8-5-9(2)12(11(6-8)14-4)15-10(3)7-13/h5-6,10,13H,7H2,1-4H3.
What are the key properties of 2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol?
2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropan-1-ol is sourced from PubChem (CID 116852570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).