2,7-diethyl-1-benzothiophen-4-ol

C12H14OS — CID 130032256

IUPAC2,7-diethyl-1-benzothiophen-4-ol
SMILESCCc1cc2c(O)ccc(CC)c2s1
InChIInChI=1S/C12H14OS/c1-3-8-5-6-11(13)10-7-9(4-2)14-12(8)10/h5-7,13H,3-4H2,1-2H3
InChIKeyNEKWPPMCNKVRJR-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.73
Rot. Bonds2

About 2,7-diethyl-1-benzothiophen-4-ol

2,7-diethyl-1-benzothiophen-4-ol (PubChem CID 130032256) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 2,7-diethyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2,7-diethyl-1-benzothiophen-4-ol
PubChem CID130032256
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name2,7-diethyl-1-benzothiophen-4-ol
SMILESCCc1cc2c(O)ccc(CC)c2s1
InChIInChI=1S/C12H14OS/c1-3-8-5-6-11(13)10-7-9(4-2)14-12(8)10/h5-7,13H,3-4H2,1-2H3
InChIKeyNEKWPPMCNKVRJR-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 2,7-diethyl-1-benzothiophen-4-ol?
The IUPAC name of 2,7-diethyl-1-benzothiophen-4-ol (CID 130032256) is 2,7-diethyl-1-benzothiophen-4-ol.
What is the SMILES notation for 2,7-diethyl-1-benzothiophen-4-ol?
The canonical SMILES for 2,7-diethyl-1-benzothiophen-4-ol is CCc1cc2c(O)ccc(CC)c2s1.
What is the InChIKey of 2,7-diethyl-1-benzothiophen-4-ol?
The InChIKey is NEKWPPMCNKVRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-3-8-5-6-11(13)10-7-9(4-2)14-12(8)10/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 2,7-diethyl-1-benzothiophen-4-ol?
2,7-diethyl-1-benzothiophen-4-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 2,7-diethyl-1-benzothiophen-4-ol is sourced from PubChem (CID 130032256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).