7-methyl-4-(2-methylpropyl)-1-benzothiophene

C13H16S — CID 91148643

IUPAC7-methyl-4-(2-methylpropyl)-1-benzothiophene
SMILESCc1ccc(CC(C)C)c2ccsc12
InChIInChI=1S/C13H16S/c1-9(2)8-11-5-4-10(3)13-12(11)6-7-14-13/h4-7,9H,8H2,1-3H3
InChIKeyMXIJABQITRIUSH-UHFFFAOYSA-N
MW204.34 g/mol
LogP4.41
Rot. Bonds2

About 7-methyl-4-(2-methylpropyl)-1-benzothiophene

7-methyl-4-(2-methylpropyl)-1-benzothiophene (PubChem CID 91148643) has the molecular formula C13H16S and a molecular weight of 204.34 g/mol. Its IUPAC name is 7-methyl-4-(2-methylpropyl)-1-benzothiophene.

Molecular Properties

Compound Name7-methyl-4-(2-methylpropyl)-1-benzothiophene
PubChem CID91148643
Molecular FormulaC13H16S
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name7-methyl-4-(2-methylpropyl)-1-benzothiophene
SMILESCc1ccc(CC(C)C)c2ccsc12
InChIInChI=1S/C13H16S/c1-9(2)8-11-5-4-10(3)13-12(11)6-7-14-13/h4-7,9H,8H2,1-3H3
InChIKeyMXIJABQITRIUSH-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(2-methylpropyl)-1-benzothiophene?
The IUPAC name of 7-methyl-4-(2-methylpropyl)-1-benzothiophene (CID 91148643) is 7-methyl-4-(2-methylpropyl)-1-benzothiophene.
What is the SMILES notation for 7-methyl-4-(2-methylpropyl)-1-benzothiophene?
The canonical SMILES for 7-methyl-4-(2-methylpropyl)-1-benzothiophene is Cc1ccc(CC(C)C)c2ccsc12.
What is the InChIKey of 7-methyl-4-(2-methylpropyl)-1-benzothiophene?
The InChIKey is MXIJABQITRIUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S/c1-9(2)8-11-5-4-10(3)13-12(11)6-7-14-13/h4-7,9H,8H2,1-3H3.
What are the key properties of 7-methyl-4-(2-methylpropyl)-1-benzothiophene?
7-methyl-4-(2-methylpropyl)-1-benzothiophene has a molecular weight of 204.34 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(2-methylpropyl)-1-benzothiophene is sourced from PubChem (CID 91148643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).