3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one

C27H22O9 — CID 102393062

IUPAC3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one
SMILESCOc1cc(OC)c2c(c1)OC(Oc1c(-c3ccccc3)oc3cc(OC)cc(OC)c3c1=O)C2=O
InChIInChI=1S/C27H22O9/c1-30-15-10-17(32-3)21-19(12-15)34-25(14-8-6-5-7-9-14)26(23(21)28)36-27-24(29)22-18(33-4)11-16(31-2)13-20(22)35-27/h5-13,27H,1-4H3
InChIKeyKYBDQCSIBWPZNF-UHFFFAOYSA-N
MW490.46 g/mol
LogP4.47
Rot. Bonds7

About 3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one

3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one (PubChem CID 102393062) has the molecular formula C27H22O9 and a molecular weight of 490.46 g/mol. Its IUPAC name is 3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one
PubChem CID102393062
Molecular FormulaC27H22O9
Molecular Weight490.46 g/mol
Exact Mass490.13
IUPAC Name3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one
SMILESCOc1cc(OC)c2c(c1)OC(Oc1c(-c3ccccc3)oc3cc(OC)cc(OC)c3c1=O)C2=O
InChIInChI=1S/C27H22O9/c1-30-15-10-17(32-3)21-19(12-15)34-25(14-8-6-5-7-9-14)26(23(21)28)36-27-24(29)22-18(33-4)11-16(31-2)13-20(22)35-27/h5-13,27H,1-4H3
InChIKeyKYBDQCSIBWPZNF-UHFFFAOYSA-N
XLogP4.47
TPSA102.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one with MolForge

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Related Compounds

2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
CID 528819
5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one
CID 102256311
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one
CID 59838501
[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate
CID 46702115
(2S,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 118983376
2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one
CID 97032110
2-(3,4-dimethoxyphenyl)-3-(3-hydroxypropoxy)-5,7-dimethoxychromen-4-one
CID 101179168
(2S,3S)-2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-2,3-dihydrochromen-4-one
CID 23270520
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 14234930
benzyl 5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carboxylate
CID 134911539

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one?
The IUPAC name of 3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one (CID 102393062) is 3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one.
What is the SMILES notation for 3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one?
The canonical SMILES for 3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one is COc1cc(OC)c2c(c1)OC(Oc1c(-c3ccccc3)oc3cc(OC)cc(OC)c3c1=O)C2=O.
What is the InChIKey of 3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one?
The InChIKey is KYBDQCSIBWPZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O9/c1-30-15-10-17(32-3)21-19(12-15)34-25(14-8-6-5-7-9-14)26(23(21)28)36-27-24(29)22-18(33-4)11-16(31-2)13-20(22)35-27/h5-13,27H,1-4H3.
What are the key properties of 3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one?
3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one has a molecular weight of 490.46 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one is sourced from PubChem (CID 102393062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).