2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol

C13H16Cl2OS — CID 107308228

IUPAC2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)C1CCCCS1
InChIInChI=1S/C13H16Cl2OS/c14-10-5-3-4-9(13(10)15)8-11(16)12-6-1-2-7-17-12/h3-5,11-12,16H,1-2,6-8H2
InChIKeyIBDVKKNCQSUIFJ-UHFFFAOYSA-N
MW291.24 g/mol
LogP4.18
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol

2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol (PubChem CID 107308228) has the molecular formula C13H16Cl2OS and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol
PubChem CID107308228
Molecular FormulaC13H16Cl2OS
Molecular Weight291.24 g/mol
Exact Mass290.03
IUPAC Name2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)C1CCCCS1
InChIInChI=1S/C13H16Cl2OS/c14-10-5-3-4-9(13(10)15)8-11(16)12-6-1-2-7-17-12/h3-5,11-12,16H,1-2,6-8H2
InChIKeyIBDVKKNCQSUIFJ-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol
CID 80622903
2-(3-chloro-2-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 102857840
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
CID 102857841
2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol
CID 80621626
2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol
CID 80636553
1-(2,3-dichlorophenyl)-3-(thian-4-yl)propan-2-ol
CID 107312531
2-pyridin-2-yl-1-(thian-2-yl)ethanol
CID 80622096
2-(4-bromo-2-fluorophenyl)-1-(thian-2-yl)ethanol
CID 80621746
2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol
CID 80621737
(2,3-dichlorophenyl)-(thiolan-2-yl)methanamine
CID 80623174
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
1-cyclopropyl-2-(2,3-dichlorophenyl)ethanamine
CID 107308371

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol (CID 107308228) is 2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol is OC(Cc1cccc(Cl)c1Cl)C1CCCCS1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol?
The InChIKey is IBDVKKNCQSUIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2OS/c14-10-5-3-4-9(13(10)15)8-11(16)12-6-1-2-7-17-12/h3-5,11-12,16H,1-2,6-8H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol?
2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol has a molecular weight of 291.24 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol is sourced from PubChem (CID 107308228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).