1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol

C19H21Cl2NO2S — CID 23204707

IUPAC1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol
SMILESCSc1ccc(C(O)Cc2c(Cl)cncc2Cl)cc1OC1CCCC1
InChIInChI=1S/C19H21Cl2NO2S/c1-25-19-7-6-12(8-18(19)24-13-4-2-3-5-13)17(23)9-14-15(20)10-22-11-16(14)21/h6-8,10-11,13,17,23H,2-5,9H2,1H3
InChIKeyXONQWDFCLYYYBX-UHFFFAOYSA-N
MW398.36 g/mol
LogP5.71
Rot. Bonds6

About 1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol

1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol (PubChem CID 23204707) has the molecular formula C19H21Cl2NO2S and a molecular weight of 398.36 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol
PubChem CID23204707
Molecular FormulaC19H21Cl2NO2S
Molecular Weight398.36 g/mol
Exact Mass397.07
IUPAC Name1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol
SMILESCSc1ccc(C(O)Cc2c(Cl)cncc2Cl)cc1OC1CCCC1
InChIInChI=1S/C19H21Cl2NO2S/c1-25-19-7-6-12(8-18(19)24-13-4-2-3-5-13)17(23)9-14-15(20)10-22-11-16(14)21/h6-8,10-11,13,17,23H,2-5,9H2,1H3
InChIKeyXONQWDFCLYYYBX-UHFFFAOYSA-N
XLogP5.71
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.36
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol?
The IUPAC name of 1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol (CID 23204707) is 1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol?
The canonical SMILES for 1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol is CSc1ccc(C(O)Cc2c(Cl)cncc2Cl)cc1OC1CCCC1.
What is the InChIKey of 1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol?
The InChIKey is XONQWDFCLYYYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2S/c1-25-19-7-6-12(8-18(19)24-13-4-2-3-5-13)17(23)9-14-15(20)10-22-11-16(14)21/h6-8,10-11,13,17,23H,2-5,9H2,1H3.
What are the key properties of 1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol?
1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol has a molecular weight of 398.36 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol is sourced from PubChem (CID 23204707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).