2-phenyl-2,3-dihydro-1-benzothiophene

C14H12S — CID 611413

IUPAC2-phenyl-2,3-dihydro-1-benzothiophene
SMILESc1ccc(C2Cc3ccccc3S2)cc1
InChIInChI=1S/C14H12S/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-9,14H,10H2
InChIKeyXHYKMNNXNAYROZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.08
Rot. Bonds1

About 2-phenyl-2,3-dihydro-1-benzothiophene

2-phenyl-2,3-dihydro-1-benzothiophene (PubChem CID 611413) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-phenyl-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name2-phenyl-2,3-dihydro-1-benzothiophene
PubChem CID611413
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name2-phenyl-2,3-dihydro-1-benzothiophene
SMILESc1ccc(C2Cc3ccccc3S2)cc1
InChIInChI=1S/C14H12S/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-9,14H,10H2
InChIKeyXHYKMNNXNAYROZ-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,3-dihydro-1-benzothiophene?
The IUPAC name of 2-phenyl-2,3-dihydro-1-benzothiophene (CID 611413) is 2-phenyl-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 2-phenyl-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 2-phenyl-2,3-dihydro-1-benzothiophene is c1ccc(C2Cc3ccccc3S2)cc1.
What is the InChIKey of 2-phenyl-2,3-dihydro-1-benzothiophene?
The InChIKey is XHYKMNNXNAYROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-9,14H,10H2.
What are the key properties of 2-phenyl-2,3-dihydro-1-benzothiophene?
2-phenyl-2,3-dihydro-1-benzothiophene has a molecular weight of 212.32 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 611413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).