2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol

C13H20O2S — CID 116852285

IUPAC2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCOc1cc(C)c(C)cc1SC(C)(C)CO
InChIInChI=1S/C13H20O2S/c1-9-6-11(15-5)12(7-10(9)2)16-13(3,4)8-14/h6-7,14H,8H2,1-5H3
InChIKeyUUUJWRROOGZYGN-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.18
Rot. Bonds4

About 2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol

2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol (PubChem CID 116852285) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol
PubChem CID116852285
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCOc1cc(C)c(C)cc1SC(C)(C)CO
InChIInChI=1S/C13H20O2S/c1-9-6-11(15-5)12(7-10(9)2)16-13(3,4)8-14/h6-7,14H,8H2,1-5H3
InChIKeyUUUJWRROOGZYGN-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852374
(2-methoxy-4,5-dimethylphenyl)sulfanylmethanol
CID 117033384
2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol
CID 116852358
2-(2-methoxy-4-methyl-5-methylsulfanylphenyl)-2-methylpropan-1-ol
CID 117353825
2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852264
2-amino-3-(2-methoxy-4,5-dimethylphenyl)sulfanylpropanoic acid
CID 117034719
1-(2-chloroethylsulfanyl)-2-methoxy-4,5-dimethylbenzene
CID 117033356
2-(2-methoxy-5-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853494
2-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-1-one
CID 116920372
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol
CID 115133196
1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol
CID 82126628

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol (CID 116852285) is 2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol is COc1cc(C)c(C)cc1SC(C)(C)CO.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is UUUJWRROOGZYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-9-6-11(15-5)12(7-10(9)2)16-13(3,4)8-14/h6-7,14H,8H2,1-5H3.
What are the key properties of 2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol?
2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 116852285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).