2-phenyl-1-benzothiophene

C14H10S — CID 610886

IUPAC2-phenyl-1-benzothiophene
SMILESc1ccc(-c2cc3ccccc3s2)cc1
InChIInChI=1S/C14H10S/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10H
InChIKeyLBMHPHUSGIEGHJ-UHFFFAOYSA-N
MW210.30 g/mol
LogP4.57
Rot. Bonds1

About 2-phenyl-1-benzothiophene

2-phenyl-1-benzothiophene (PubChem CID 610886) has the molecular formula C14H10S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-phenyl-1-benzothiophene.

Molecular Properties

Compound Name2-phenyl-1-benzothiophene
PubChem CID610886
Molecular FormulaC14H10S
Molecular Weight210.30 g/mol
Exact Mass210.05
IUPAC Name2-phenyl-1-benzothiophene
SMILESc1ccc(-c2cc3ccccc3s2)cc1
InChIInChI=1S/C14H10S/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10H
InChIKeyLBMHPHUSGIEGHJ-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-benzothiophene?
The IUPAC name of 2-phenyl-1-benzothiophene (CID 610886) is 2-phenyl-1-benzothiophene.
What is the SMILES notation for 2-phenyl-1-benzothiophene?
The canonical SMILES for 2-phenyl-1-benzothiophene is c1ccc(-c2cc3ccccc3s2)cc1.
What is the InChIKey of 2-phenyl-1-benzothiophene?
The InChIKey is LBMHPHUSGIEGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10S/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10H.
What are the key properties of 2-phenyl-1-benzothiophene?
2-phenyl-1-benzothiophene has a molecular weight of 210.30 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-benzothiophene is sourced from PubChem (CID 610886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).