3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol

C13H13ClO2S — CID 154630453

IUPAC3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCOc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C13H13ClO2S/c14-10-3-5-11(6-4-10)16-8-7-12(15)13-2-1-9-17-13/h1-6,9,12,15H,7-8H2
InChIKeyXMKOTBCHEMDQGR-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.90
Rot. Bonds5

About 3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol

3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol (PubChem CID 154630453) has the molecular formula C13H13ClO2S and a molecular weight of 268.77 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol
PubChem CID154630453
Molecular FormulaC13H13ClO2S
Molecular Weight268.77 g/mol
Exact Mass268.03
IUPAC Name3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCOc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C13H13ClO2S/c14-10-3-5-11(6-4-10)16-8-7-12(15)13-2-1-9-17-13/h1-6,9,12,15H,7-8H2
InChIKeyXMKOTBCHEMDQGR-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenoxy-1-thiophen-2-ylbutan-1-ol
CID 114990149
2-(4-chlorophenoxy)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 90603399
2-(4-fluorophenoxy)-1-thiophen-2-ylethanol
CID 117240196
2-(3-chlorophenoxy)-1-thiophen-2-ylethanol
CID 115766337
3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine
CID 54971662
3-(4-methylphenoxy)-1-thiophen-2-ylpropan-1-amine
CID 84753072
1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol
CID 54113844
(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658
(3-phenoxy-1-thiophen-2-ylpropyl)hydrazine
CID 105191394
1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109412716
(2S)-2-(4-chlorophenoxy)-4-phenoxybutanoic acid
CID 73347301
1-(4-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798401

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol (CID 154630453) is 3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol is OC(CCOc1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is XMKOTBCHEMDQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2S/c14-10-3-5-11(6-4-10)16-8-7-12(15)13-2-1-9-17-13/h1-6,9,12,15H,7-8H2.
What are the key properties of 3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol?
3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 268.77 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 154630453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).