1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol

C10H12Cl2O2S — CID 116830202

IUPAC1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol
SMILESCOc1c(Cl)cc(Cl)cc1C(O)CSC
InChIInChI=1S/C10H12Cl2O2S/c1-14-10-7(9(13)5-15-2)3-6(11)4-8(10)12/h3-4,9,13H,5H2,1-2H3
InChIKeyAIUANECHYVUKKP-UHFFFAOYSA-N
MW267.18 g/mol
LogP3.40
Rot. Bonds4

About 1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol

1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol (PubChem CID 116830202) has the molecular formula C10H12Cl2O2S and a molecular weight of 267.18 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol
PubChem CID116830202
Molecular FormulaC10H12Cl2O2S
Molecular Weight267.18 g/mol
Exact Mass265.99
IUPAC Name1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol
SMILESCOc1c(Cl)cc(Cl)cc1C(O)CSC
InChIInChI=1S/C10H12Cl2O2S/c1-14-10-7(9(13)5-15-2)3-6(11)4-8(10)12/h3-4,9,13H,5H2,1-2H3
InChIKeyAIUANECHYVUKKP-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
2-(3,5-dichloro-2-methoxyphenyl)butan-1-ol
CID 116964127
(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
CID 66517963
2-amino-1-(3,5-dichloro-2-methoxyphenyl)butane-1,4-diol
CID 83941077
1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
CID 116830198
2-amino-2-(3,5-dichloro-2-methoxyphenyl)ethanethiol
CID 116830511
1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol
CID 116830247
1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
CID 103433114
1-(3-bromo-5-chloro-2-methoxyphenyl)pentan-1-ol
CID 61099300
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099
1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
CID 117358952
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanol
CID 63427922

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol?
The IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol (CID 116830202) is 1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol is COc1c(Cl)cc(Cl)cc1C(O)CSC.
What is the InChIKey of 1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol?
The InChIKey is AIUANECHYVUKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2S/c1-14-10-7(9(13)5-15-2)3-6(11)4-8(10)12/h3-4,9,13H,5H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol?
1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol has a molecular weight of 267.18 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol is sourced from PubChem (CID 116830202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).