5-methoxy-2,3-dimethyl-1-benzothiophene

C11H12OS — CID 58777526

IUPAC5-methoxy-2,3-dimethyl-1-benzothiophene
SMILESCOc1ccc2sc(C)c(C)c2c1
InChIInChI=1S/C11H12OS/c1-7-8(2)13-11-5-4-9(12-3)6-10(7)11/h4-6H,1-3H3
InChIKeyKQKHMHHEOODPHG-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.53
Rot. Bonds1

About 5-methoxy-2,3-dimethyl-1-benzothiophene

5-methoxy-2,3-dimethyl-1-benzothiophene (PubChem CID 58777526) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 5-methoxy-2,3-dimethyl-1-benzothiophene.

Molecular Properties

Compound Name5-methoxy-2,3-dimethyl-1-benzothiophene
PubChem CID58777526
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name5-methoxy-2,3-dimethyl-1-benzothiophene
SMILESCOc1ccc2sc(C)c(C)c2c1
InChIInChI=1S/C11H12OS/c1-7-8(2)13-11-5-4-9(12-3)6-10(7)11/h4-6H,1-3H3
InChIKeyKQKHMHHEOODPHG-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-dimethyl-1-benzothiophene?
The IUPAC name of 5-methoxy-2,3-dimethyl-1-benzothiophene (CID 58777526) is 5-methoxy-2,3-dimethyl-1-benzothiophene.
What is the SMILES notation for 5-methoxy-2,3-dimethyl-1-benzothiophene?
The canonical SMILES for 5-methoxy-2,3-dimethyl-1-benzothiophene is COc1ccc2sc(C)c(C)c2c1.
What is the InChIKey of 5-methoxy-2,3-dimethyl-1-benzothiophene?
The InChIKey is KQKHMHHEOODPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-7-8(2)13-11-5-4-9(12-3)6-10(7)11/h4-6H,1-3H3.
What are the key properties of 5-methoxy-2,3-dimethyl-1-benzothiophene?
5-methoxy-2,3-dimethyl-1-benzothiophene has a molecular weight of 192.28 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-dimethyl-1-benzothiophene is sourced from PubChem (CID 58777526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).