4-butyl-6-propan-2-yl-1-benzothiophene

C15H20S — CID 23058073

IUPAC4-butyl-6-propan-2-yl-1-benzothiophene
SMILESCCCCc1cc(C(C)C)cc2sccc12
InChIInChI=1S/C15H20S/c1-4-5-6-12-9-13(11(2)3)10-15-14(12)7-8-16-15/h7-11H,4-6H2,1-3H3
InChIKeyQCXFGZXGLIENBF-UHFFFAOYSA-N
MW232.39 g/mol
LogP5.37
Rot. Bonds4

About 4-butyl-6-propan-2-yl-1-benzothiophene

4-butyl-6-propan-2-yl-1-benzothiophene (PubChem CID 23058073) has the molecular formula C15H20S and a molecular weight of 232.39 g/mol. Its IUPAC name is 4-butyl-6-propan-2-yl-1-benzothiophene.

Molecular Properties

Compound Name4-butyl-6-propan-2-yl-1-benzothiophene
PubChem CID23058073
Molecular FormulaC15H20S
Molecular Weight232.39 g/mol
Exact Mass232.13
IUPAC Name4-butyl-6-propan-2-yl-1-benzothiophene
SMILESCCCCc1cc(C(C)C)cc2sccc12
InChIInChI=1S/C15H20S/c1-4-5-6-12-9-13(11(2)3)10-15-14(12)7-8-16-15/h7-11H,4-6H2,1-3H3
InChIKeyQCXFGZXGLIENBF-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-propan-2-yl-1-benzothiophene?
The IUPAC name of 4-butyl-6-propan-2-yl-1-benzothiophene (CID 23058073) is 4-butyl-6-propan-2-yl-1-benzothiophene.
What is the SMILES notation for 4-butyl-6-propan-2-yl-1-benzothiophene?
The canonical SMILES for 4-butyl-6-propan-2-yl-1-benzothiophene is CCCCc1cc(C(C)C)cc2sccc12.
What is the InChIKey of 4-butyl-6-propan-2-yl-1-benzothiophene?
The InChIKey is QCXFGZXGLIENBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20S/c1-4-5-6-12-9-13(11(2)3)10-15-14(12)7-8-16-15/h7-11H,4-6H2,1-3H3.
What are the key properties of 4-butyl-6-propan-2-yl-1-benzothiophene?
4-butyl-6-propan-2-yl-1-benzothiophene has a molecular weight of 232.39 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-propan-2-yl-1-benzothiophene is sourced from PubChem (CID 23058073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).