2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one

C20H20O6 — CID 162922972

IUPAC2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one
SMILESCOc1cc(OC)c2c(c1)OCC1(Cc3ccc(OC)c(OC)c31)C2=O
InChIInChI=1S/C20H20O6/c1-22-12-7-14(24-3)16-15(8-12)26-10-20(19(16)21)9-11-5-6-13(23-2)18(25-4)17(11)20/h5-8H,9-10H2,1-4H3
InChIKeyJGJJZNQODHHEPB-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.79
Rot. Bonds4

About 2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one

2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one (PubChem CID 162922972) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is 2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one.

Molecular Properties

Compound Name2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one
PubChem CID162922972
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one
SMILESCOc1cc(OC)c2c(c1)OCC1(Cc3ccc(OC)c(OC)c31)C2=O
InChIInChI=1S/C20H20O6/c1-22-12-7-14(24-3)16-15(8-12)26-10-20(19(16)21)9-11-5-6-13(23-2)18(25-4)17(11)20/h5-8H,9-10H2,1-4H3
InChIKeyJGJJZNQODHHEPB-UHFFFAOYSA-N
XLogP2.79
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one?
The IUPAC name of 2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one (CID 162922972) is 2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one.
What is the SMILES notation for 2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one?
The canonical SMILES for 2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one is COc1cc(OC)c2c(c1)OCC1(Cc3ccc(OC)c(OC)c31)C2=O.
What is the InChIKey of 2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one?
The InChIKey is JGJJZNQODHHEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-22-12-7-14(24-3)16-15(8-12)26-10-20(19(16)21)9-11-5-6-13(23-2)18(25-4)17(11)20/h5-8H,9-10H2,1-4H3.
What are the key properties of 2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one?
2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one has a molecular weight of 356.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one is sourced from PubChem (CID 162922972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).