5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one

C20H20O7 — CID 162848461

IUPAC5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)cc1C
InChIInChI=1S/C20H20O7/c1-10-8-11(6-7-13(10)23-2)17-20(26-5)16(22)15-12(21)9-14(24-3)18(25-4)19(15)27-17/h6-9,21H,1-5H3
InChIKeyJAIXVJMOBGGVHC-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.51
Rot. Bonds5

About 5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one

5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one (PubChem CID 162848461) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is 5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one
PubChem CID162848461
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)cc1C
InChIInChI=1S/C20H20O7/c1-10-8-11(6-7-13(10)23-2)17-20(26-5)16(22)15-12(21)9-14(24-3)18(25-4)19(15)27-17/h6-9,21H,1-5H3
InChIKeyJAIXVJMOBGGVHC-UHFFFAOYSA-N
XLogP3.51
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-3-methylchromen-4-one
CID 14873686
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one
CID 146500533
1-hydroxy-3,4,8-trimethoxyxanthen-9-one
CID 162882586
1,5,8-trihydroxy-3,4-dimethoxyxanthen-9-one
CID 86183532
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905
1-hydroxy-3,4,5-trimethoxyxanthen-9-one
CID 72944463
[2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-8-methoxy-4-oxochromen-3-yl] 2-methylbut-2-enoate
CID 74978560
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
CID 46211779
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one
CID 15137940
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-8-methylchromen-4-one
CID 46913430
5,6,7-trihydroxy-2-(4-hydroxy-3-methylphenyl)-3-methoxychromen-4-one
CID 163023602

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one?
The IUPAC name of 5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one (CID 162848461) is 5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one.
What is the SMILES notation for 5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one?
The canonical SMILES for 5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one is COc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)cc1C.
What is the InChIKey of 5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one?
The InChIKey is JAIXVJMOBGGVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-10-8-11(6-7-13(10)23-2)17-20(26-5)16(22)15-12(21)9-14(24-3)18(25-4)19(15)27-17/h6-9,21H,1-5H3.
What are the key properties of 5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one?
5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one has a molecular weight of 372.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one is sourced from PubChem (CID 162848461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).