2-[2-(2-phenylethyl)phenyl]thiophene

C18H16S — CID 68606171

IUPAC2-[2-(2-phenylethyl)phenyl]thiophene
SMILESc1ccc(CCc2ccccc2-c2cccs2)cc1
InChIInChI=1S/C18H16S/c1-2-7-15(8-3-1)12-13-16-9-4-5-10-17(16)18-11-6-14-19-18/h1-11,14H,12-13H2
InChIKeyIAQRWJDIGLGUSE-UHFFFAOYSA-N
MW264.39 g/mol
LogP5.20
Rot. Bonds4

About 2-[2-(2-phenylethyl)phenyl]thiophene

2-[2-(2-phenylethyl)phenyl]thiophene (PubChem CID 68606171) has the molecular formula C18H16S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[2-(2-phenylethyl)phenyl]thiophene.

Molecular Properties

Compound Name2-[2-(2-phenylethyl)phenyl]thiophene
PubChem CID68606171
Molecular FormulaC18H16S
Molecular Weight264.39 g/mol
Exact Mass264.10
IUPAC Name2-[2-(2-phenylethyl)phenyl]thiophene
SMILESc1ccc(CCc2ccccc2-c2cccs2)cc1
InChIInChI=1S/C18H16S/c1-2-7-15(8-3-1)12-13-16-9-4-5-10-17(16)18-11-6-14-19-18/h1-11,14H,12-13H2
InChIKeyIAQRWJDIGLGUSE-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethyl)phenyl]thiophene?
The IUPAC name of 2-[2-(2-phenylethyl)phenyl]thiophene (CID 68606171) is 2-[2-(2-phenylethyl)phenyl]thiophene.
What is the SMILES notation for 2-[2-(2-phenylethyl)phenyl]thiophene?
The canonical SMILES for 2-[2-(2-phenylethyl)phenyl]thiophene is c1ccc(CCc2ccccc2-c2cccs2)cc1.
What is the InChIKey of 2-[2-(2-phenylethyl)phenyl]thiophene?
The InChIKey is IAQRWJDIGLGUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16S/c1-2-7-15(8-3-1)12-13-16-9-4-5-10-17(16)18-11-6-14-19-18/h1-11,14H,12-13H2.
What are the key properties of 2-[2-(2-phenylethyl)phenyl]thiophene?
2-[2-(2-phenylethyl)phenyl]thiophene has a molecular weight of 264.39 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethyl)phenyl]thiophene is sourced from PubChem (CID 68606171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).