2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol

C17H19Cl2NO2S — CID 21187864

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol
SMILESCSc1ccc(C(O)Cc2c(Cl)cncc2Cl)cc1OC(C)C
InChIInChI=1S/C17H19Cl2NO2S/c1-10(2)22-16-6-11(4-5-17(16)23-3)15(21)7-12-13(18)8-20-9-14(12)19/h4-6,8-10,15,21H,7H2,1-3H3
InChIKeyPOZRBQNVBULPJW-UHFFFAOYSA-N
MW372.32 g/mol
LogP5.17
Rot. Bonds6

About 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol

2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol (PubChem CID 21187864) has the molecular formula C17H19Cl2NO2S and a molecular weight of 372.32 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol
PubChem CID21187864
Molecular FormulaC17H19Cl2NO2S
Molecular Weight372.32 g/mol
Exact Mass371.05
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol
SMILESCSc1ccc(C(O)Cc2c(Cl)cncc2Cl)cc1OC(C)C
InChIInChI=1S/C17H19Cl2NO2S/c1-10(2)22-16-6-11(4-5-17(16)23-3)15(21)7-12-13(18)8-20-9-14(12)19/h4-6,8-10,15,21H,7H2,1-3H3
InChIKeyPOZRBQNVBULPJW-UHFFFAOYSA-N
XLogP5.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.32
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol (CID 21187864) is 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol is CSc1ccc(C(O)Cc2c(Cl)cncc2Cl)cc1OC(C)C.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol?
The InChIKey is POZRBQNVBULPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2S/c1-10(2)22-16-6-11(4-5-17(16)23-3)15(21)7-12-13(18)8-20-9-14(12)19/h4-6,8-10,15,21H,7H2,1-3H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol?
2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol has a molecular weight of 372.32 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 21187864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).