2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol

C12H14Cl2OS — CID 80622903

IUPAC2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)C1CCCS1
InChIInChI=1S/C12H14Cl2OS/c13-9-3-4-10(14)8(6-9)7-11(15)12-2-1-5-16-12/h3-4,6,11-12,15H,1-2,5,7H2
InChIKeyCFAXGJRODKMOQI-UHFFFAOYSA-N
MW277.22 g/mol
LogP3.79
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol

2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol (PubChem CID 80622903) has the molecular formula C12H14Cl2OS and a molecular weight of 277.22 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol
PubChem CID80622903
Molecular FormulaC12H14Cl2OS
Molecular Weight277.22 g/mol
Exact Mass276.01
IUPAC Name2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)C1CCCS1
InChIInChI=1S/C12H14Cl2OS/c13-9-3-4-10(14)8(6-9)7-11(15)12-2-1-5-16-12/h3-4,6,11-12,15H,1-2,5,7H2
InChIKeyCFAXGJRODKMOQI-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(thiolan-2-yl)ethanol
CID 80621737
2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80622619
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
N-[2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80626755
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol
CID 107308228
2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105100405
2-(4-bromo-2-fluorophenyl)-1-(thian-2-yl)ethanol
CID 80621746
2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801998
1-(2-adamantyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801925
2-(2,5-dichlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 65411173
2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol
CID 80623267

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol (CID 80622903) is 2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol is OC(Cc1cc(Cl)ccc1Cl)C1CCCS1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol?
The InChIKey is CFAXGJRODKMOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2OS/c13-9-3-4-10(14)8(6-9)7-11(15)12-2-1-5-16-12/h3-4,6,11-12,15H,1-2,5,7H2.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol?
2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol has a molecular weight of 277.22 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol is sourced from PubChem (CID 80622903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).