3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one

C25H24O7 — CID 154937493

IUPAC3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one
SMILESC=CC1=C(/C=C(\C)OCOC)Oc2cc(OCOC)ccc2C12OC(=O)c1ccccc12
InChIInChI=1S/C25H24O7/c1-5-19-22(12-16(2)29-14-27-3)31-23-13-17(30-15-28-4)10-11-21(23)25(19)20-9-7-6-8-18(20)24(26)32-25/h5-13H,1,14-15H2,2-4H3/b16-12+
InChIKeyWPVSUMGPGAKYRD-FOWTUZBSSA-N
MW436.46 g/mol
LogP4.44
Rot. Bonds8

About 3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one

3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one (PubChem CID 154937493) has the molecular formula C25H24O7 and a molecular weight of 436.46 g/mol. Its IUPAC name is 3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one.

Molecular Properties

Compound Name3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one
PubChem CID154937493
Molecular FormulaC25H24O7
Molecular Weight436.46 g/mol
Exact Mass436.15
IUPAC Name3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one
SMILESC=CC1=C(/C=C(\C)OCOC)Oc2cc(OCOC)ccc2C12OC(=O)c1ccccc12
InChIInChI=1S/C25H24O7/c1-5-19-22(12-16(2)29-14-27-3)31-23-13-17(30-15-28-4)10-11-21(23)25(19)20-9-7-6-8-18(20)24(26)32-25/h5-13H,1,14-15H2,2-4H3/b16-12+
InChIKeyWPVSUMGPGAKYRD-FOWTUZBSSA-N
XLogP4.44
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one?
The IUPAC name of 3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one (CID 154937493) is 3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one.
What is the SMILES notation for 3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one?
The canonical SMILES for 3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one is C=CC1=C(/C=C(\C)OCOC)Oc2cc(OCOC)ccc2C12OC(=O)c1ccccc12.
What is the InChIKey of 3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one?
The InChIKey is WPVSUMGPGAKYRD-FOWTUZBSSA-N. The full InChI is InChI=1S/C25H24O7/c1-5-19-22(12-16(2)29-14-27-3)31-23-13-17(30-15-28-4)10-11-21(23)25(19)20-9-7-6-8-18(20)24(26)32-25/h5-13H,1,14-15H2,2-4H3/b16-12+.
What are the key properties of 3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one?
3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one has a molecular weight of 436.46 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethenyl-7'-(methoxymethoxy)-2'-[(E)-2-(methoxymethoxy)prop-1-enyl]spiro[2-benzofuran-3,4'-chromene]-1-one is sourced from PubChem (CID 154937493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).