2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one

C35H30O10 — CID 12020300

IUPAC2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(c1)OC(c1ccc(Oc3cc(-c4cc(=O)c5c(OC)cc(OC)cc5o4)ccc3OC)cc1)CC2=O
InChIInChI=1S/C35H30O10/c1-38-22-13-30(41-4)34-24(36)17-27(44-32(34)15-22)19-6-9-21(10-7-19)43-29-12-20(8-11-26(29)40-3)28-18-25(37)35-31(42-5)14-23(39-2)16-33(35)45-28/h6-16,18,27H,17H2,1-5H3
InChIKeySBAOHRVRDIVKHG-UHFFFAOYSA-N
MW610.62 g/mol
LogP7.00
Rot. Bonds9

About 2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one

2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one (PubChem CID 12020300) has the molecular formula C35H30O10 and a molecular weight of 610.62 g/mol. Its IUPAC name is 2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one
PubChem CID12020300
Molecular FormulaC35H30O10
Molecular Weight610.62 g/mol
Exact Mass610.18
IUPAC Name2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(c1)OC(c1ccc(Oc3cc(-c4cc(=O)c5c(OC)cc(OC)cc5o4)ccc3OC)cc1)CC2=O
InChIInChI=1S/C35H30O10/c1-38-22-13-30(41-4)34-24(36)17-27(44-32(34)15-22)19-6-9-21(10-7-19)43-29-12-20(8-11-26(29)40-3)28-18-25(37)35-31(42-5)14-23(39-2)16-33(35)45-28/h6-16,18,27H,17H2,1-5H3
InChIKeySBAOHRVRDIVKHG-UHFFFAOYSA-N
XLogP7.00
TPSA111.89 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.62
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
2-[3-[(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]-4-methoxyphenyl]-5,7-dihydroxychromen-4-one
CID 162821445
(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 11078443
(2S)-8-[5-[(2S)-5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163039099
5-hydroxy-8-[5-[(2S)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 163013361
(2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10336604
8-[(2R,3S)-5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 44559460
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
[2-(3-acetyloxy-4-methoxyphenyl)-5-methoxy-4-oxochromen-7-yl] acetate
CID 163008395
5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one
CID 46841346
(2R)-2-[4-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 163068106
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one?
The IUPAC name of 2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one (CID 12020300) is 2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one?
The canonical SMILES for 2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one is COc1cc(OC)c2c(c1)OC(c1ccc(Oc3cc(-c4cc(=O)c5c(OC)cc(OC)cc5o4)ccc3OC)cc1)CC2=O.
What is the InChIKey of 2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one?
The InChIKey is SBAOHRVRDIVKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30O10/c1-38-22-13-30(41-4)34-24(36)17-27(44-32(34)15-22)19-6-9-21(10-7-19)43-29-12-20(8-11-26(29)40-3)28-18-25(37)35-31(42-5)14-23(39-2)16-33(35)45-28/h6-16,18,27H,17H2,1-5H3.
What are the key properties of 2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one?
2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one has a molecular weight of 610.62 g/mol, XLogP of 7.00, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one is sourced from PubChem (CID 12020300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).