1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol

C12H10Cl2OS — CID 63220767

IUPAC1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol
SMILESCC(O)(c1ccc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C12H10Cl2OS/c1-12(15,11-3-2-6-16-11)8-4-5-9(13)10(14)7-8/h2-7,15H,1H3
InChIKeyLTOJJDIFPIBWDB-UHFFFAOYSA-N
MW273.18 g/mol
LogP4.31
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol

1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol (PubChem CID 63220767) has the molecular formula C12H10Cl2OS and a molecular weight of 273.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol
PubChem CID63220767
Molecular FormulaC12H10Cl2OS
Molecular Weight273.18 g/mol
Exact Mass271.98
IUPAC Name1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol
SMILESCC(O)(c1ccc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C12H10Cl2OS/c1-12(15,11-3-2-6-16-11)8-4-5-9(13)10(14)7-8/h2-7,15H,1H3
InChIKeyLTOJJDIFPIBWDB-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol (CID 63220767) is 1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol is CC(O)(c1ccc(Cl)c(Cl)c1)c1cccs1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol?
The InChIKey is LTOJJDIFPIBWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2OS/c1-12(15,11-3-2-6-16-11)8-4-5-9(13)10(14)7-8/h2-7,15H,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol?
1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol has a molecular weight of 273.18 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 63220767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).