6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione

C23H20O8 — CID 162820552

IUPAC6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione
SMILESCOc1cc2c(cc1OC)C(=O)C1(CO2)OC(=O)c2ccc3c(c2O1)C=CC(C)(C)O3
InChIInChI=1S/C23H20O8/c1-22(2)8-7-12-15(29-22)6-5-13-19(12)30-23(31-21(13)25)11-28-16-10-18(27-4)17(26-3)9-14(16)20(23)24/h5-10H,11H2,1-4H3
InChIKeyNZIANEPQOIXOGI-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.41
Rot. Bonds2

About 6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione

6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione (PubChem CID 162820552) has the molecular formula C23H20O8 and a molecular weight of 424.41 g/mol. Its IUPAC name is 6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione.

Molecular Properties

Compound Name6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione
PubChem CID162820552
Molecular FormulaC23H20O8
Molecular Weight424.41 g/mol
Exact Mass424.12
IUPAC Name6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione
SMILESCOc1cc2c(cc1OC)C(=O)C1(CO2)OC(=O)c2ccc3c(c2O1)C=CC(C)(C)O3
InChIInChI=1S/C23H20O8/c1-22(2)8-7-12-15(29-22)6-5-13-19(12)30-23(31-21(13)25)11-28-16-10-18(27-4)17(26-3)9-14(16)20(23)24/h5-10H,11H2,1-4H3
InChIKeyNZIANEPQOIXOGI-UHFFFAOYSA-N
XLogP3.41
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione with MolForge

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Related Compounds

5-[[(3R)-6,7-dimethoxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-2,2-dimethylchromene-6-carboxylic acid
CID 162933767
(3S)-3-(3-methoxy-4-methylphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
CID 118199562
(1S,14S)-17-(2-fluoroethoxy)-18-methoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
CID 130279682
(1S,14S)-18-(2-(18F)fluoroethoxy)-17-methoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
CID 11270226
17,18-dimethoxy-7,7-dimethyl-2,8,22-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
CID 89257140
(1R,14R)-3-methoxy-7,7,20,20-tetramethyl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15(24),16,18(23),21-octaene
CID 101316460
(2S)-2-(1,3-benzodioxol-5-yl)-5-methoxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 42608067
(1S,14S)-18-(hydroxymethyl)-17-methoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15(20),16,18-heptaen-13-one
CID 70935875
[(1S,13S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-yl] acetate
CID 71457424
18-(hydroxymethyl)-6,7-dimethoxy-18-methyl-10,13,19-trioxatetracyclo[12.8.0.04,9.015,20]docosa-1(14),4,6,8,15(20),16,21-heptaen-2-one
CID 166765216
4-(5-methoxy-8,8-dimethyl-2H-pyrano[2,3-h]chromen-3-yl)benzene-1,3-diol
CID 139568713
(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 132988935

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione?
The IUPAC name of 6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione (CID 162820552) is 6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione.
What is the SMILES notation for 6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione?
The canonical SMILES for 6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione is COc1cc2c(cc1OC)C(=O)C1(CO2)OC(=O)c2ccc3c(c2O1)C=CC(C)(C)O3.
What is the InChIKey of 6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione?
The InChIKey is NZIANEPQOIXOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O8/c1-22(2)8-7-12-15(29-22)6-5-13-19(12)30-23(31-21(13)25)11-28-16-10-18(27-4)17(26-3)9-14(16)20(23)24/h5-10H,11H2,1-4H3.
What are the key properties of 6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione?
6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione has a molecular weight of 424.41 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-8',8'-dimethylspiro[2H-chromene-3,2'-pyrano[2,3-h][1,3]benzodioxine]-4,4'-dione is sourced from PubChem (CID 162820552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).