6-(4-propan-2-ylphenoxy)-1-benzothiophene

C17H16OS — CID 177076494

IUPAC6-(4-propan-2-ylphenoxy)-1-benzothiophene
SMILESCC(C)c1ccc(Oc2ccc3ccsc3c2)cc1
InChIInChI=1S/C17H16OS/c1-12(2)13-3-6-15(7-4-13)18-16-8-5-14-9-10-19-17(14)11-16/h3-12H,1-2H3
InChIKeyHNQGAXGMNKDJNS-UHFFFAOYSA-N
MW268.38 g/mol
LogP5.82
Rot. Bonds3

About 6-(4-propan-2-ylphenoxy)-1-benzothiophene

6-(4-propan-2-ylphenoxy)-1-benzothiophene (PubChem CID 177076494) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is 6-(4-propan-2-ylphenoxy)-1-benzothiophene.

Molecular Properties

Compound Name6-(4-propan-2-ylphenoxy)-1-benzothiophene
PubChem CID177076494
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name6-(4-propan-2-ylphenoxy)-1-benzothiophene
SMILESCC(C)c1ccc(Oc2ccc3ccsc3c2)cc1
InChIInChI=1S/C17H16OS/c1-12(2)13-3-6-15(7-4-13)18-16-8-5-14-9-10-19-17(14)11-16/h3-12H,1-2H3
InChIKeyHNQGAXGMNKDJNS-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.38
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylphenoxy)-1-benzothiophene?
The IUPAC name of 6-(4-propan-2-ylphenoxy)-1-benzothiophene (CID 177076494) is 6-(4-propan-2-ylphenoxy)-1-benzothiophene.
What is the SMILES notation for 6-(4-propan-2-ylphenoxy)-1-benzothiophene?
The canonical SMILES for 6-(4-propan-2-ylphenoxy)-1-benzothiophene is CC(C)c1ccc(Oc2ccc3ccsc3c2)cc1.
What is the InChIKey of 6-(4-propan-2-ylphenoxy)-1-benzothiophene?
The InChIKey is HNQGAXGMNKDJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c1-12(2)13-3-6-15(7-4-13)18-16-8-5-14-9-10-19-17(14)11-16/h3-12H,1-2H3.
What are the key properties of 6-(4-propan-2-ylphenoxy)-1-benzothiophene?
6-(4-propan-2-ylphenoxy)-1-benzothiophene has a molecular weight of 268.38 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylphenoxy)-1-benzothiophene is sourced from PubChem (CID 177076494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).