1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol

C11H14Cl2OS — CID 65130613

IUPAC1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol
SMILESCCSCC(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2OS/c1-2-15-7-9(14)5-8-3-4-10(12)11(13)6-8/h3-4,6,9,14H,2,5,7H2,1H3
InChIKeyHEPWJCYCCPMRIN-UHFFFAOYSA-N
MW265.20 g/mol
LogP3.65
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol

1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol (PubChem CID 65130613) has the molecular formula C11H14Cl2OS and a molecular weight of 265.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol
PubChem CID65130613
Molecular FormulaC11H14Cl2OS
Molecular Weight265.20 g/mol
Exact Mass264.01
IUPAC Name1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol
SMILESCCSCC(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2OS/c1-2-15-7-9(14)5-8-3-4-10(12)11(13)6-8/h3-4,6,9,14H,2,5,7H2,1H3
InChIKeyHEPWJCYCCPMRIN-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727
1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-ol
CID 65131091
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-2-ol
CID 63046678
(2S)-3-[(3,4-dichlorophenyl)methylsulfanyl]propane-1,2-diol
CID 97049217
1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 65138589
1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089799
1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol
CID 83174968
1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol
CID 79745603
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
1-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347424
2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol
CID 114103870
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol (CID 65130613) is 1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol is CCSCC(O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol?
The InChIKey is HEPWJCYCCPMRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2OS/c1-2-15-7-9(14)5-8-3-4-10(12)11(13)6-8/h3-4,6,9,14H,2,5,7H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol?
1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol has a molecular weight of 265.20 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol is sourced from PubChem (CID 65130613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).