5-ethyl-3-methyl-1-benzothiophen-6-ol

C11H12OS — CID 131197632

IUPAC5-ethyl-3-methyl-1-benzothiophen-6-ol
SMILESCCc1cc2c(C)csc2cc1O
InChIInChI=1S/C11H12OS/c1-3-8-4-9-7(2)6-13-11(9)5-10(8)12/h4-6,12H,3H2,1-2H3
InChIKeyRMHVFRDJXFQZGC-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.48
Rot. Bonds1

About 5-ethyl-3-methyl-1-benzothiophen-6-ol

5-ethyl-3-methyl-1-benzothiophen-6-ol (PubChem CID 131197632) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 5-ethyl-3-methyl-1-benzothiophen-6-ol.

Molecular Properties

Compound Name5-ethyl-3-methyl-1-benzothiophen-6-ol
PubChem CID131197632
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name5-ethyl-3-methyl-1-benzothiophen-6-ol
SMILESCCc1cc2c(C)csc2cc1O
InChIInChI=1S/C11H12OS/c1-3-8-4-9-7(2)6-13-11(9)5-10(8)12/h4-6,12H,3H2,1-2H3
InChIKeyRMHVFRDJXFQZGC-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-1-benzothiophen-6-ol?
The IUPAC name of 5-ethyl-3-methyl-1-benzothiophen-6-ol (CID 131197632) is 5-ethyl-3-methyl-1-benzothiophen-6-ol.
What is the SMILES notation for 5-ethyl-3-methyl-1-benzothiophen-6-ol?
The canonical SMILES for 5-ethyl-3-methyl-1-benzothiophen-6-ol is CCc1cc2c(C)csc2cc1O.
What is the InChIKey of 5-ethyl-3-methyl-1-benzothiophen-6-ol?
The InChIKey is RMHVFRDJXFQZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-3-8-4-9-7(2)6-13-11(9)5-10(8)12/h4-6,12H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-1-benzothiophen-6-ol?
5-ethyl-3-methyl-1-benzothiophen-6-ol has a molecular weight of 192.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-1-benzothiophen-6-ol is sourced from PubChem (CID 131197632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).