5,6-diethyl-1-benzothiophen-2-ol

C12H14OS — CID 131091620

IUPAC5,6-diethyl-1-benzothiophen-2-ol
SMILESCCc1cc2cc(O)sc2cc1CC
InChIInChI=1S/C12H14OS/c1-3-8-5-10-7-12(13)14-11(10)6-9(8)4-2/h5-7,13H,3-4H2,1-2H3
InChIKeyKZCLCVMLUUIFCD-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.73
Rot. Bonds2

About 5,6-diethyl-1-benzothiophen-2-ol

5,6-diethyl-1-benzothiophen-2-ol (PubChem CID 131091620) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 5,6-diethyl-1-benzothiophen-2-ol.

Molecular Properties

Compound Name5,6-diethyl-1-benzothiophen-2-ol
PubChem CID131091620
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name5,6-diethyl-1-benzothiophen-2-ol
SMILESCCc1cc2cc(O)sc2cc1CC
InChIInChI=1S/C12H14OS/c1-3-8-5-10-7-12(13)14-11(10)6-9(8)4-2/h5-7,13H,3-4H2,1-2H3
InChIKeyKZCLCVMLUUIFCD-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-1-benzothiophen-2-ol?
The IUPAC name of 5,6-diethyl-1-benzothiophen-2-ol (CID 131091620) is 5,6-diethyl-1-benzothiophen-2-ol.
What is the SMILES notation for 5,6-diethyl-1-benzothiophen-2-ol?
The canonical SMILES for 5,6-diethyl-1-benzothiophen-2-ol is CCc1cc2cc(O)sc2cc1CC.
What is the InChIKey of 5,6-diethyl-1-benzothiophen-2-ol?
The InChIKey is KZCLCVMLUUIFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-3-8-5-10-7-12(13)14-11(10)6-9(8)4-2/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 5,6-diethyl-1-benzothiophen-2-ol?
5,6-diethyl-1-benzothiophen-2-ol has a molecular weight of 206.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-1-benzothiophen-2-ol is sourced from PubChem (CID 131091620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).