1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol

C12H18O2S — CID 63928381

IUPAC1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol
SMILESCOCC(O)CSCc1ccccc1C
InChIInChI=1S/C12H18O2S/c1-10-5-3-4-6-11(10)8-15-9-12(13)7-14-2/h3-6,12-13H,7-9H2,1-2H3
InChIKeyIYCFKNIBZZWUKX-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.24
Rot. Bonds6

About 1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol

1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol (PubChem CID 63928381) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol
PubChem CID63928381
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol
SMILESCOCC(O)CSCc1ccccc1C
InChIInChI=1S/C12H18O2S/c1-10-5-3-4-6-11(10)8-15-9-12(13)7-14-2/h3-6,12-13H,7-9H2,1-2H3
InChIKeyIYCFKNIBZZWUKX-UHFFFAOYSA-N
XLogP2.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-N-methyl-3-[(2-methylphenyl)methylsulfanyl]propan-2-amine
CID 107511414
methyl (3R)-3-hydroxy-4-[(2-methylphenyl)methylsulfanyl]butanoate
CID 111753417
1,1,1-trifluoro-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol
CID 63902283
methyl 2,2-dimethyl-3-[(2-methylphenyl)methylsulfanyl]propanoate
CID 79630033
2,3-dimethyl-1-[(2-methylphenyl)methylsulfanyl]butan-2-ol
CID 114447547
1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634603
3-[(2,6-dimethylphenyl)methylsulfanyl]propane-1,2-diol
CID 71924619
3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine
CID 103371676
2,2-dimethyl-3-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 79630032
1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol
CID 63928593
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634409
2-[(2-methylphenyl)methylsulfanylmethyl]aniline
CID 62055179

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol?
The IUPAC name of 1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol (CID 63928381) is 1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol is COCC(O)CSCc1ccccc1C.
What is the InChIKey of 1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol?
The InChIKey is IYCFKNIBZZWUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-10-5-3-4-6-11(10)8-15-9-12(13)7-14-2/h3-6,12-13H,7-9H2,1-2H3.
What are the key properties of 1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol?
1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol has a molecular weight of 226.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol is sourced from PubChem (CID 63928381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).