1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol

C13H20O2S — CID 116830198

IUPAC1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
SMILESCOc1c(C)cc(C(O)CSC)c(C)c1C
InChIInChI=1S/C13H20O2S/c1-8-6-11(12(14)7-16-5)9(2)10(3)13(8)15-4/h6,12,14H,7H2,1-5H3
InChIKeyZZNLUWBXQVMEIO-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol

1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol (PubChem CID 116830198) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
PubChem CID116830198
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
SMILESCOc1c(C)cc(C(O)CSC)c(C)c1C
InChIInChI=1S/C13H20O2S/c1-8-6-11(12(14)7-16-5)9(2)10(3)13(8)15-4/h6,12,14H,7H2,1-5H3
InChIKeyZZNLUWBXQVMEIO-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol
CID 116830247
1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
CID 103433114
(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol
CID 116954672
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616
1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol
CID 116830252
1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol
CID 116830202
methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947288
bromo-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947618
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752
1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine
CID 116961496
3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 84814417

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol?
The IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol (CID 116830198) is 1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol is COc1c(C)cc(C(O)CSC)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol?
The InChIKey is ZZNLUWBXQVMEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-8-6-11(12(14)7-16-5)9(2)10(3)13(8)15-4/h6,12,14H,7H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol?
1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol has a molecular weight of 240.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol is sourced from PubChem (CID 116830198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).