2-(3-chlorophenoxy)-1-thiophen-2-ylethanol

C12H11ClO2S — CID 115766337

IUPAC2-(3-chlorophenoxy)-1-thiophen-2-ylethanol
SMILESOC(COc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C12H11ClO2S/c13-9-3-1-4-10(7-9)15-8-11(14)12-5-2-6-16-12/h1-7,11,14H,8H2
InChIKeyAZGXQVXZCIVOKI-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.51
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-thiophen-2-ylethanol

2-(3-chlorophenoxy)-1-thiophen-2-ylethanol (PubChem CID 115766337) has the molecular formula C12H11ClO2S and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-thiophen-2-ylethanol
PubChem CID115766337
Molecular FormulaC12H11ClO2S
Molecular Weight254.74 g/mol
Exact Mass254.02
IUPAC Name2-(3-chlorophenoxy)-1-thiophen-2-ylethanol
SMILESOC(COc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C12H11ClO2S/c13-9-3-1-4-10(7-9)15-8-11(14)12-5-2-6-16-12/h1-7,11,14H,8H2
InChIKeyAZGXQVXZCIVOKI-UHFFFAOYSA-N
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633223
2-(3-chlorophenoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106786505
2-(4-fluorophenoxy)-1-thiophen-2-ylethanol
CID 117240196
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
2-(3-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121642
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 105095527
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(3-chlorophenoxy)-1-thiophen-2-ylethanol (CID 115766337) is 2-(3-chlorophenoxy)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-thiophen-2-ylethanol is OC(COc1cccc(Cl)c1)c1cccs1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-thiophen-2-ylethanol?
The InChIKey is AZGXQVXZCIVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2S/c13-9-3-1-4-10(7-9)15-8-11(14)12-5-2-6-16-12/h1-7,11,14H,8H2.
What are the key properties of 2-(3-chlorophenoxy)-1-thiophen-2-ylethanol?
2-(3-chlorophenoxy)-1-thiophen-2-ylethanol has a molecular weight of 254.74 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-thiophen-2-ylethanol is sourced from PubChem (CID 115766337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).