3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide

C18H12O3S — CID 950756

IUPAC3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(Oc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C18H12O3S/c19-22(20)12-17(16-7-3-4-8-18(16)22)21-15-10-9-13-5-1-2-6-14(13)11-15/h1-12H
InChIKeyQWCWVNFIUXCSGG-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.00
Rot. Bonds2

About 3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide

3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide (PubChem CID 950756) has the molecular formula C18H12O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide
PubChem CID950756
Molecular FormulaC18H12O3S
Molecular Weight308.36 g/mol
Exact Mass308.05
IUPAC Name3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(Oc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C18H12O3S/c19-22(20)12-17(16-7-3-4-8-18(16)22)21-15-10-9-13-5-1-2-6-14(13)11-15/h1-12H
InChIKeyQWCWVNFIUXCSGG-UHFFFAOYSA-N
XLogP4.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide (CID 950756) is 3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide is O=S1(=O)C=C(Oc2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of 3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide?
The InChIKey is QWCWVNFIUXCSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3S/c19-22(20)12-17(16-7-3-4-8-18(16)22)21-15-10-9-13-5-1-2-6-14(13)11-15/h1-12H.
What are the key properties of 3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide?
3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide has a molecular weight of 308.36 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yloxy-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 950756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).