3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one

C28H24O6 — CID 1409351

IUPAC3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C28H24O6/c1-16-4-6-19(7-5-16)27-28(25(30)21-13-17(2)12-18(3)26(21)34-27)33-15-22(29)20-8-9-23-24(14-20)32-11-10-31-23/h4-9,12-14H,10-11,15H2,1-3H3
InChIKeyXVXUBIYTAJQMLY-UHFFFAOYSA-N
MW456.49 g/mol
LogP5.42
Rot. Bonds5

About 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one

3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one (PubChem CID 1409351) has the molecular formula C28H24O6 and a molecular weight of 456.49 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one
PubChem CID1409351
Molecular FormulaC28H24O6
Molecular Weight456.49 g/mol
Exact Mass456.16
IUPAC Name3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C28H24O6/c1-16-4-6-19(7-5-16)27-28(25(30)21-13-17(2)12-18(3)26(21)34-27)33-15-22(29)20-8-9-23-24(14-20)32-11-10-31-23/h4-9,12-14H,10-11,15H2,1-3H3
InChIKeyXVXUBIYTAJQMLY-UHFFFAOYSA-N
XLogP5.42
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide
CID 1409338
3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one
CID 1409356
2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one
CID 1409433
6,8-dichloro-3-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001729
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 1409332
N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 1409430
1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 63566170
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)ethanone
CID 7834366
5,7-dimethyl-2-(4-methylphenyl)-3-(2-oxopropoxy)chromen-4-one
CID 1413433
6,8-dichloro-2-(4-methylphenyl)-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one
CID 21001730
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 8560279
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799981

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one (CID 1409351) is 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one is Cc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one?
The InChIKey is XVXUBIYTAJQMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O6/c1-16-4-6-19(7-5-16)27-28(25(30)21-13-17(2)12-18(3)26(21)34-27)33-15-22(29)20-8-9-23-24(14-20)32-11-10-31-23/h4-9,12-14H,10-11,15H2,1-3H3.
What are the key properties of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one?
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one has a molecular weight of 456.49 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 1409351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).