2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol

C19H21Cl2NO3S — CID 23204534

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol
SMILESCSc1ccc(C(O)Cc2c(Cl)cncc2Cl)cc1OC1CCOCC1
InChIInChI=1S/C19H21Cl2NO3S/c1-26-19-3-2-12(8-18(19)25-13-4-6-24-7-5-13)17(23)9-14-15(20)10-22-11-16(14)21/h2-3,8,10-11,13,17,23H,4-7,9H2,1H3
InChIKeyIOEHILYTOANMEL-UHFFFAOYSA-N
MW414.35 g/mol
LogP4.94
Rot. Bonds6

About 2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol

2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol (PubChem CID 23204534) has the molecular formula C19H21Cl2NO3S and a molecular weight of 414.35 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol
PubChem CID23204534
Molecular FormulaC19H21Cl2NO3S
Molecular Weight414.35 g/mol
Exact Mass413.06
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol
SMILESCSc1ccc(C(O)Cc2c(Cl)cncc2Cl)cc1OC1CCOCC1
InChIInChI=1S/C19H21Cl2NO3S/c1-26-19-3-2-12(8-18(19)25-13-4-6-24-7-5-13)17(23)9-14-15(20)10-22-11-16(14)21/h2-3,8,10-11,13,17,23H,4-7,9H2,1H3
InChIKeyIOEHILYTOANMEL-UHFFFAOYSA-N
XLogP4.94
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol with MolForge

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Related Compounds

US11559538, Example 144
CID 147847857
US11559538, Example 112
CID 150805368
1-(3-Chloro-5-methylsulfanyl-4-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 90008176
(3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylbutan-2-ol
CID 15887865
(2R,3R)-3-[[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]butan-2-ol
CID 15887871
[4-[(2,4-Dichloro-3-pyridinyl)methyl]-2-ethoxy-3-methylphenyl]sulfonylmethanol
CID 19417349
2-(3,5-Dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone
CID 21187842
2-(3,5-Dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol
CID 21187864
1-(3-Cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanone
CID 21187950
2-(3,5-Dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanone
CID 23204624
1-(3-Cyclopentyloxy-4-methylsulfanylphenyl)-2-(3,5-dichloro-4-pyridinyl)ethanol
CID 23204707
2-(3,5-Dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxolan-3-yloxy)phenyl]ethanol
CID 23204741

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol (CID 23204534) is 2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol is CSc1ccc(C(O)Cc2c(Cl)cncc2Cl)cc1OC1CCOCC1.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol?
The InChIKey is IOEHILYTOANMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3S/c1-26-19-3-2-12(8-18(19)25-13-4-6-24-7-5-13)17(23)9-14-15(20)10-22-11-16(14)21/h2-3,8,10-11,13,17,23H,4-7,9H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol?
2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol has a molecular weight of 414.35 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-[4-methylsulfanyl-3-(oxan-4-yloxy)phenyl]ethanol is sourced from PubChem (CID 23204534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).