3-naphthalen-1-yloxy-1-benzothiophene

C18H12OS — CID 18330360

IUPAC3-naphthalen-1-yloxy-1-benzothiophene
SMILESc1ccc2c(Oc3csc4ccccc34)cccc2c1
InChIInChI=1S/C18H12OS/c1-2-8-14-13(6-1)7-5-10-16(14)19-17-12-20-18-11-4-3-9-15(17)18/h1-12H
InChIKeyPCUIQBWILNKAML-UHFFFAOYSA-N
MW276.36 g/mol
LogP5.85
Rot. Bonds2

About 3-naphthalen-1-yloxy-1-benzothiophene

3-naphthalen-1-yloxy-1-benzothiophene (PubChem CID 18330360) has the molecular formula C18H12OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-naphthalen-1-yloxy-1-benzothiophene.

Molecular Properties

Compound Name3-naphthalen-1-yloxy-1-benzothiophene
PubChem CID18330360
Molecular FormulaC18H12OS
Molecular Weight276.36 g/mol
Exact Mass276.06
IUPAC Name3-naphthalen-1-yloxy-1-benzothiophene
SMILESc1ccc2c(Oc3csc4ccccc34)cccc2c1
InChIInChI=1S/C18H12OS/c1-2-8-14-13(6-1)7-5-10-16(14)19-17-12-20-18-11-4-3-9-15(17)18/h1-12H
InChIKeyPCUIQBWILNKAML-UHFFFAOYSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.36
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yloxy-1-benzothiophene?
The IUPAC name of 3-naphthalen-1-yloxy-1-benzothiophene (CID 18330360) is 3-naphthalen-1-yloxy-1-benzothiophene.
What is the SMILES notation for 3-naphthalen-1-yloxy-1-benzothiophene?
The canonical SMILES for 3-naphthalen-1-yloxy-1-benzothiophene is c1ccc2c(Oc3csc4ccccc34)cccc2c1.
What is the InChIKey of 3-naphthalen-1-yloxy-1-benzothiophene?
The InChIKey is PCUIQBWILNKAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12OS/c1-2-8-14-13(6-1)7-5-10-16(14)19-17-12-20-18-11-4-3-9-15(17)18/h1-12H.
What are the key properties of 3-naphthalen-1-yloxy-1-benzothiophene?
3-naphthalen-1-yloxy-1-benzothiophene has a molecular weight of 276.36 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxy-1-benzothiophene is sourced from PubChem (CID 18330360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).