5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one

C47H38O10 — CID 86755123

IUPAC5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O.Cc1ccc(-c2cc(=O)c3c(C)cc(OCc4ccccc4)cc3o2)cc1OCc1ccccc1
InChIInChI=1S/C31H26O4.C16H12O6/c1-21-13-14-25(16-28(21)34-20-24-11-7-4-8-12-24)29-18-27(32)31-22(2)15-26(17-30(31)35-29)33-19-23-9-5-3-6-10-23;1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h3-18H,19-20H2,1-2H3;2-7,17-19H,1H3
InChIKeyIAXCOLCSVZUUPN-UHFFFAOYSA-N
MW762.81 g/mol
LogP9.82
Rot. Bonds9

About 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one (PubChem CID 86755123) has the molecular formula C47H38O10 and a molecular weight of 762.81 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one
PubChem CID86755123
Molecular FormulaC47H38O10
Molecular Weight762.81 g/mol
Exact Mass762.25
IUPAC Name5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O.Cc1ccc(-c2cc(=O)c3c(C)cc(OCc4ccccc4)cc3o2)cc1OCc1ccccc1
InChIInChI=1S/C31H26O4.C16H12O6/c1-21-13-14-25(16-28(21)34-20-24-11-7-4-8-12-24)29-18-27(32)31-22(2)15-26(17-30(31)35-29)33-19-23-9-5-3-6-10-23;1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h3-18H,19-20H2,1-2H3;2-7,17-19H,1H3
InChIKeyIAXCOLCSVZUUPN-UHFFFAOYSA-N
XLogP9.82
TPSA148.80 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.81
LogP ≤ 59.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one
CID 139217483
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one;5,7-dihydroxy-2-(3-hydroxy-4-methylphenyl)chromen-4-one;5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;methane
CID 162082533
5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one
CID 11180161
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 12794885
2-[4-[7-(cyanomethoxy)-5-hydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]acetonitrile
CID 175017796
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
CID 6029612
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
2-[5-methoxy-2-(3-methoxy-4-methylphenyl)-4-oxochromen-7-yl]oxyacetonitrile
CID 59331782
2-(3-benzyl-4,5-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 127045296
2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one
CID 59152476

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one (CID 86755123) is 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one is COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O.Cc1ccc(-c2cc(=O)c3c(C)cc(OCc4ccccc4)cc3o2)cc1OCc1ccccc1.
What is the InChIKey of 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one?
The InChIKey is IAXCOLCSVZUUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O4.C16H12O6/c1-21-13-14-25(16-28(21)34-20-24-11-7-4-8-12-24)29-18-27(32)31-22(2)15-26(17-30(31)35-29)33-19-23-9-5-3-6-10-23;1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h3-18H,19-20H2,1-2H3;2-7,17-19H,1H3.
What are the key properties of 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one?
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one has a molecular weight of 762.81 g/mol, XLogP of 9.82, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 86755123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).