7-ethyl-5-phenyl-1-benzothiophene

C16H14S — CID 174295161

IUPAC7-ethyl-5-phenyl-1-benzothiophene
SMILESCCc1cc(-c2ccccc2)cc2ccsc12
InChIInChI=1S/C16H14S/c1-2-12-10-15(13-6-4-3-5-7-13)11-14-8-9-17-16(12)14/h3-11H,2H2,1H3
InChIKeyHZLVWNVHMIDQHH-UHFFFAOYSA-N
MW238.36 g/mol
LogP5.13
Rot. Bonds2

About 7-ethyl-5-phenyl-1-benzothiophene

7-ethyl-5-phenyl-1-benzothiophene (PubChem CID 174295161) has the molecular formula C16H14S and a molecular weight of 238.36 g/mol. Its IUPAC name is 7-ethyl-5-phenyl-1-benzothiophene.

Molecular Properties

Compound Name7-ethyl-5-phenyl-1-benzothiophene
PubChem CID174295161
Molecular FormulaC16H14S
Molecular Weight238.36 g/mol
Exact Mass238.08
IUPAC Name7-ethyl-5-phenyl-1-benzothiophene
SMILESCCc1cc(-c2ccccc2)cc2ccsc12
InChIInChI=1S/C16H14S/c1-2-12-10-15(13-6-4-3-5-7-13)11-14-8-9-17-16(12)14/h3-11H,2H2,1H3
InChIKeyHZLVWNVHMIDQHH-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.36
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-phenyl-1-benzothiophene?
The IUPAC name of 7-ethyl-5-phenyl-1-benzothiophene (CID 174295161) is 7-ethyl-5-phenyl-1-benzothiophene.
What is the SMILES notation for 7-ethyl-5-phenyl-1-benzothiophene?
The canonical SMILES for 7-ethyl-5-phenyl-1-benzothiophene is CCc1cc(-c2ccccc2)cc2ccsc12.
What is the InChIKey of 7-ethyl-5-phenyl-1-benzothiophene?
The InChIKey is HZLVWNVHMIDQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S/c1-2-12-10-15(13-6-4-3-5-7-13)11-14-8-9-17-16(12)14/h3-11H,2H2,1H3.
What are the key properties of 7-ethyl-5-phenyl-1-benzothiophene?
7-ethyl-5-phenyl-1-benzothiophene has a molecular weight of 238.36 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-phenyl-1-benzothiophene is sourced from PubChem (CID 174295161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).