2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol

C12H10Cl2O2S — CID 107361953

IUPAC2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol
SMILESOC(COc1ccc(Cl)cc1)c1sccc1Cl
InChIInChI=1S/C12H10Cl2O2S/c13-8-1-3-9(4-2-8)16-7-11(15)12-10(14)5-6-17-12/h1-6,11,15H,7H2
InChIKeyANOIDYCSKZKNJF-UHFFFAOYSA-N
MW289.18 g/mol
LogP4.17
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol

2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol (PubChem CID 107361953) has the molecular formula C12H10Cl2O2S and a molecular weight of 289.18 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol
PubChem CID107361953
Molecular FormulaC12H10Cl2O2S
Molecular Weight289.18 g/mol
Exact Mass287.98
IUPAC Name2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol
SMILESOC(COc1ccc(Cl)cc1)c1sccc1Cl
InChIInChI=1S/C12H10Cl2O2S/c13-8-1-3-9(4-2-8)16-7-11(15)12-10(14)5-6-17-12/h1-6,11,15H,7H2
InChIKeyANOIDYCSKZKNJF-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol
CID 105112926
2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 107361703
3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547
2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121637
1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822545
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol
CID 114982062
1-(3-chlorothiophen-2-yl)hexan-1-ol
CID 80530393
1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol
CID 80529585
2-(4-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 113338071

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol (CID 107361953) is 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol is OC(COc1ccc(Cl)cc1)c1sccc1Cl.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol?
The InChIKey is ANOIDYCSKZKNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O2S/c13-8-1-3-9(4-2-8)16-7-11(15)12-10(14)5-6-17-12/h1-6,11,15H,7H2.
What are the key properties of 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol?
2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol has a molecular weight of 289.18 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 107361953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).