5-thiophen-2-yloxynaphthalene-1,4-dione

C14H8O3S — CID 164616530

IUPAC5-thiophen-2-yloxynaphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2c(Oc3cccs3)cccc21
InChIInChI=1S/C14H8O3S/c15-10-6-7-11(16)14-9(10)3-1-4-12(14)17-13-5-2-8-18-13/h1-8H
InChIKeyKMCDATUKVKKSFC-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.48
Rot. Bonds2

About 5-thiophen-2-yloxynaphthalene-1,4-dione

5-thiophen-2-yloxynaphthalene-1,4-dione (PubChem CID 164616530) has the molecular formula C14H8O3S and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-thiophen-2-yloxynaphthalene-1,4-dione.

Molecular Properties

Compound Name5-thiophen-2-yloxynaphthalene-1,4-dione
PubChem CID164616530
Molecular FormulaC14H8O3S
Molecular Weight256.28 g/mol
Exact Mass256.02
IUPAC Name5-thiophen-2-yloxynaphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2c(Oc3cccs3)cccc21
InChIInChI=1S/C14H8O3S/c15-10-6-7-11(16)14-9(10)3-1-4-12(14)17-13-5-2-8-18-13/h1-8H
InChIKeyKMCDATUKVKKSFC-UHFFFAOYSA-N
XLogP3.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yloxynaphthalene-1,4-dione?
The IUPAC name of 5-thiophen-2-yloxynaphthalene-1,4-dione (CID 164616530) is 5-thiophen-2-yloxynaphthalene-1,4-dione.
What is the SMILES notation for 5-thiophen-2-yloxynaphthalene-1,4-dione?
The canonical SMILES for 5-thiophen-2-yloxynaphthalene-1,4-dione is O=C1C=CC(=O)c2c(Oc3cccs3)cccc21.
What is the InChIKey of 5-thiophen-2-yloxynaphthalene-1,4-dione?
The InChIKey is KMCDATUKVKKSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O3S/c15-10-6-7-11(16)14-9(10)3-1-4-12(14)17-13-5-2-8-18-13/h1-8H.
What are the key properties of 5-thiophen-2-yloxynaphthalene-1,4-dione?
5-thiophen-2-yloxynaphthalene-1,4-dione has a molecular weight of 256.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yloxynaphthalene-1,4-dione is sourced from PubChem (CID 164616530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).