1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol

C9H11ClO2S — CID 145411133

IUPAC1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol
SMILESCOc1c(S)ccc(Cl)c1C(C)O
InChIInChI=1S/C9H11ClO2S/c1-5(11)8-6(10)3-4-7(13)9(8)12-2/h3-5,11,13H,1-2H3
InChIKeyHZGPSYXKLIXVPJ-UHFFFAOYSA-N
MW218.70 g/mol
LogP2.69
Rot. Bonds2

About 1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol

1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol (PubChem CID 145411133) has the molecular formula C9H11ClO2S and a molecular weight of 218.70 g/mol. Its IUPAC name is 1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol
PubChem CID145411133
Molecular FormulaC9H11ClO2S
Molecular Weight218.70 g/mol
Exact Mass218.02
IUPAC Name1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol
SMILESCOc1c(S)ccc(Cl)c1C(C)O
InChIInChI=1S/C9H11ClO2S/c1-5(11)8-6(10)3-4-7(13)9(8)12-2/h3-5,11,13H,1-2H3
InChIKeyHZGPSYXKLIXVPJ-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-Chloro-6-methoxyphenyl)ethan-1-ol
CID 57812675
1-(6-Chloro-3-fluoro-2-methoxyphenyl)ethanol
CID 84672792
1-(2-Chloro-6-methoxyphenyl)-2-fluoroethan-1-ol
CID 165638249
4-Chloro-2-methoxy-3-methylbenzenesulfonyl chloride
CID 18782243
(2-Chloro-6-methoxyphenyl)methanol
CID 28945846
1-(2-Chloro-6-methoxyphenyl)propan-1-ol
CID 104817088
1-(6-Chloro-3-chlorosulfonyl-2-methoxyphenyl)ethyl acetate
CID 132203595
(5-Chloro-2-methoxy-3-sulfanylphenyl)methanol
CID 134260547
[5-Chloro-3-(hydroxymethyl)-2-methoxyphenyl]-hydroxysulfanium
CID 142286227
[2-Chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol
CID 63647321
1-(2-Chloro-6-methoxyphenyl)heptan-1-ol
CID 104817044
1-(2-Chloro-6-methoxyphenyl)-3-methylbut-2-en-1-ol
CID 104817094

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol?
The IUPAC name of 1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol (CID 145411133) is 1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol.
What is the SMILES notation for 1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol?
The canonical SMILES for 1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol is COc1c(S)ccc(Cl)c1C(C)O.
What is the InChIKey of 1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol?
The InChIKey is HZGPSYXKLIXVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2S/c1-5(11)8-6(10)3-4-7(13)9(8)12-2/h3-5,11,13H,1-2H3.
What are the key properties of 1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol?
1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol has a molecular weight of 218.70 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methoxy-3-sulfanylphenyl)ethanol is sourced from PubChem (CID 145411133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).