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

C50H42O16 — CID 162082533

IUPAC5,7-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
SMILESC.COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O.Cc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1.Cc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O
InChIInChI=1S/C17H14O7.C16H12O5.C16H12O4.CH4/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12;1-8-2-3-9(4-11(8)18)14-7-13(20)16-12(19)5-10(17)6-15(16)21-14;1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14;/h3-7,18-19,21H,1-2H3;2-7,17-19H,1H3;2-8,17-18H,1H3;1H4
InChIKeyZCNIRPINODWGMI-UHFFFAOYSA-N
MW898.87 g/mol
LogP9.29
Rot. Bonds5

About 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

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 (PubChem CID 162082533) has the molecular formula C50H42O16 and a molecular weight of 898.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,7-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
PubChem CID162082533
Molecular FormulaC50H42O16
Molecular Weight898.87 g/mol
Exact Mass898.25
IUPAC Name5,7-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
SMILESC.COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O.Cc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1.Cc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O
InChIInChI=1S/C17H14O7.C16H12O5.C16H12O4.CH4/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12;1-8-2-3-9(4-11(8)18)14-7-13(20)16-12(19)5-10(17)6-15(16)21-14;1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14;/h3-7,18-19,21H,1-2H3;2-7,17-19H,1H3;2-8,17-18H,1H3;1H4
InChIKeyZCNIRPINODWGMI-UHFFFAOYSA-N
XLogP9.29
TPSA270.93 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500898.87
LogP ≤ 59.29
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one
CID 69325736
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one
CID 86755123
5,7-dihydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]chromen-4-one
CID 71314865
6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-4,5-dihydroxy-7-methoxychromen-2-one
CID 54731641
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 163046966
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 12794885

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O.Cc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1.Cc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O.
What is the InChIKey of 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?
The InChIKey is ZCNIRPINODWGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O7.C16H12O5.C16H12O4.CH4/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12;1-8-2-3-9(4-11(8)18)14-7-13(20)16-12(19)5-10(17)6-15(16)21-14;1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14;/h3-7,18-19,21H,1-2H3;2-7,17-19H,1H3;2-8,17-18H,1H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 898.87 g/mol, XLogP of 9.29, 5 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162082533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).