3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol

C12H10Cl2O2S — CID 18504596

IUPAC3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol
SMILESOc1cc(Cl)c(OCCc2cccs2)c(Cl)c1
InChIInChI=1S/C12H10Cl2O2S/c13-10-6-8(15)7-11(14)12(10)16-4-3-9-2-1-5-17-9/h1-2,5-7,15H,3-4H2
InChIKeyCFLFEDLHQXPWDG-UHFFFAOYSA-N
MW289.18 g/mol
LogP4.38
Rot. Bonds4

About 3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol

3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol (PubChem CID 18504596) has the molecular formula C12H10Cl2O2S and a molecular weight of 289.18 g/mol. Its IUPAC name is 3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol.

Molecular Properties

Compound Name3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol
PubChem CID18504596
Molecular FormulaC12H10Cl2O2S
Molecular Weight289.18 g/mol
Exact Mass287.98
IUPAC Name3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol
SMILESOc1cc(Cl)c(OCCc2cccs2)c(Cl)c1
InChIInChI=1S/C12H10Cl2O2S/c13-10-6-8(15)7-11(14)12(10)16-4-3-9-2-1-5-17-9/h1-2,5-7,15H,3-4H2
InChIKeyCFLFEDLHQXPWDG-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene
CID 63776256
3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol
CID 18504590
3,5-dichloro-4-[3-(2,4,6-trichlorophenoxy)propoxy]phenol
CID 54396483
4-butoxy-3,5-dichlorophenol
CID 91234331
methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate
CID 21074228
2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene
CID 79887659
[3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 79886131
2-thiophen-2-ylethoxysilane
CID 154346669
2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 54930333
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene
CID 112613704
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331
N-[[3-chloro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]propan-1-amine
CID 115953152

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol?
The IUPAC name of 3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol (CID 18504596) is 3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol.
What is the SMILES notation for 3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol?
The canonical SMILES for 3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol is Oc1cc(Cl)c(OCCc2cccs2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol?
The InChIKey is CFLFEDLHQXPWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O2S/c13-10-6-8(15)7-11(14)12(10)16-4-3-9-2-1-5-17-9/h1-2,5-7,15H,3-4H2.
What are the key properties of 3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol?
3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol has a molecular weight of 289.18 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol is sourced from PubChem (CID 18504596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).