2-phenoxy-1-benzothiophene

C14H10OS — CID 23046973

IUPAC2-phenoxy-1-benzothiophene
SMILESc1ccc(Oc2cc3ccccc3s2)cc1
InChIInChI=1S/C14H10OS/c1-2-7-12(8-3-1)15-14-10-11-6-4-5-9-13(11)16-14/h1-10H
InChIKeyZVDWGSVEKOBQLO-UHFFFAOYSA-N
MW226.30 g/mol
LogP4.69
Rot. Bonds2

About 2-phenoxy-1-benzothiophene

2-phenoxy-1-benzothiophene (PubChem CID 23046973) has the molecular formula C14H10OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-phenoxy-1-benzothiophene.

Molecular Properties

Compound Name2-phenoxy-1-benzothiophene
PubChem CID23046973
Molecular FormulaC14H10OS
Molecular Weight226.30 g/mol
Exact Mass226.05
IUPAC Name2-phenoxy-1-benzothiophene
SMILESc1ccc(Oc2cc3ccccc3s2)cc1
InChIInChI=1S/C14H10OS/c1-2-7-12(8-3-1)15-14-10-11-6-4-5-9-13(11)16-14/h1-10H
InChIKeyZVDWGSVEKOBQLO-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-benzothiophene?
The IUPAC name of 2-phenoxy-1-benzothiophene (CID 23046973) is 2-phenoxy-1-benzothiophene.
What is the SMILES notation for 2-phenoxy-1-benzothiophene?
The canonical SMILES for 2-phenoxy-1-benzothiophene is c1ccc(Oc2cc3ccccc3s2)cc1.
What is the InChIKey of 2-phenoxy-1-benzothiophene?
The InChIKey is ZVDWGSVEKOBQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS/c1-2-7-12(8-3-1)15-14-10-11-6-4-5-9-13(11)16-14/h1-10H.
What are the key properties of 2-phenoxy-1-benzothiophene?
2-phenoxy-1-benzothiophene has a molecular weight of 226.30 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-benzothiophene is sourced from PubChem (CID 23046973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).