4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol

C12H14OS — CID 130032435

IUPAC4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol
SMILESCCc1ccc(O)c2sc(C)c(C)c12
InChIInChI=1S/C12H14OS/c1-4-9-5-6-10(13)12-11(9)7(2)8(3)14-12/h5-6,13H,4H2,1-3H3
InChIKeyOBSANUORCUGXRG-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.79
Rot. Bonds1

About 4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol

4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol (PubChem CID 130032435) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol.

Molecular Properties

Compound Name4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol
PubChem CID130032435
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol
SMILESCCc1ccc(O)c2sc(C)c(C)c12
InChIInChI=1S/C12H14OS/c1-4-9-5-6-10(13)12-11(9)7(2)8(3)14-12/h5-6,13H,4H2,1-3H3
InChIKeyOBSANUORCUGXRG-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol?
The IUPAC name of 4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol (CID 130032435) is 4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol.
What is the SMILES notation for 4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol?
The canonical SMILES for 4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol is CCc1ccc(O)c2sc(C)c(C)c12.
What is the InChIKey of 4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol?
The InChIKey is OBSANUORCUGXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-4-9-5-6-10(13)12-11(9)7(2)8(3)14-12/h5-6,13H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol?
4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol has a molecular weight of 206.31 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dimethyl-1-benzothiophen-7-ol is sourced from PubChem (CID 130032435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).