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

C33H26O10 — CID 163013361

IUPAC5-hydroxy-8-[5-[(2S)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(-c3c(OC)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c1)CC2=O
InChIInChI=1S/C33H26O10/c1-39-19-11-21(35)31-22(36)13-27(42-29(31)12-19)17-6-9-25(40-2)20(10-17)30-28(41-3)15-24(38)32-23(37)14-26(43-33(30)32)16-4-7-18(34)8-5-16/h4-12,14-15,27,34-35,38H,13H2,1-3H3/t27-/m0/s1
InChIKeyVZNIORDYCPRTLH-MHZLTWQESA-N
MW582.56 g/mol
LogP5.98
Rot. Bonds6

About 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

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 (PubChem CID 163013361) has the molecular formula C33H26O10 and a molecular weight of 582.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-hydroxy-8-[5-[(2S)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
PubChem CID163013361
Molecular FormulaC33H26O10
Molecular Weight582.56 g/mol
Exact Mass582.15
IUPAC Name5-hydroxy-8-[5-[(2S)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
SMILESCOc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(-c3c(OC)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c1)CC2=O
InChIInChI=1S/C33H26O10/c1-39-19-11-21(35)31-22(36)13-27(42-29(31)12-19)17-6-9-25(40-2)20(10-17)30-28(41-3)15-24(38)32-23(37)14-26(43-33(30)32)16-4-7-18(34)8-5-16/h4-12,14-15,27,34-35,38H,13H2,1-3H3/t27-/m0/s1
InChIKeyVZNIORDYCPRTLH-MHZLTWQESA-N
XLogP5.98
TPSA144.89 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.56
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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
5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one
CID 163047299
(2S)-8-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 25212229
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)-6-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 25212227
(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
2-[3-[4-(5,7-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-4-methoxyphenyl]-5,7-dimethoxychromen-4-one
CID 12020300
8-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 165429824
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 40577064
2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788462
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788463
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;bis(5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methyl-2,3-dihydrochromen-4-one);bis(5-hydroxy-2-(4-hydroxyphenyl)-7-methyl-2,3-dihydrochromen-4-one)
CID 161273005

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(-c3c(OC)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c1)CC2=O.
What is the InChIKey of 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?
The InChIKey is VZNIORDYCPRTLH-MHZLTWQESA-N. The full InChI is InChI=1S/C33H26O10/c1-39-19-11-21(35)31-22(36)13-27(42-29(31)12-19)17-6-9-25(40-2)20(10-17)30-28(41-3)15-24(38)32-23(37)14-26(43-33(30)32)16-4-7-18(34)8-5-16/h4-12,14-15,27,34-35,38H,13H2,1-3H3/t27-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 582.56 g/mol, XLogP of 5.98, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163013361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).