3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione

C23H14O3S — CID 118723710

IUPAC3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESO=C1C=CC2(C=C1)OC(=O)C(c1cc3ccccc3s1)=C2c1ccccc1
InChIInChI=1S/C23H14O3S/c24-17-10-12-23(13-11-17)21(15-6-2-1-3-7-15)20(22(25)26-23)19-14-16-8-4-5-9-18(16)27-19/h1-14H
InChIKeyDHUSZUAIHMUYBX-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.80
Rot. Bonds2

About 3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione

3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 118723710) has the molecular formula C23H14O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID118723710
Molecular FormulaC23H14O3S
Molecular Weight370.43 g/mol
Exact Mass370.07
IUPAC Name3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESO=C1C=CC2(C=C1)OC(=O)C(c1cc3ccccc3s1)=C2c1ccccc1
InChIInChI=1S/C23H14O3S/c24-17-10-12-23(13-11-17)21(15-6-2-1-3-7-15)20(22(25)26-23)19-14-16-8-4-5-9-18(16)27-19/h1-14H
InChIKeyDHUSZUAIHMUYBX-UHFFFAOYSA-N
XLogP4.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 118723710) is 3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione is O=C1C=CC2(C=C1)OC(=O)C(c1cc3ccccc3s1)=C2c1ccccc1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is DHUSZUAIHMUYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O3S/c24-17-10-12-23(13-11-17)21(15-6-2-1-3-7-15)20(22(25)26-23)19-14-16-8-4-5-9-18(16)27-19/h1-14H.
What are the key properties of 3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione?
3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 370.43 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 118723710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).