5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one

C32H26O11 — CID 163106337

IUPAC5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one
SMILESCOc1cc(OC)c2c(c1)c(-c1c(OC)cc3cc(O)c4c(=O)cc(OC)oc4c3c1OC)c(O)c1c(=O)cc(C)oc12
InChIInChI=1S/C32H26O11/c1-13-7-17(33)27-29(36)25(16-10-15(37-2)11-21(39-4)24(16)32(27)42-13)28-20(38-3)9-14-8-18(34)26-19(35)12-22(40-5)43-31(26)23(14)30(28)41-6/h7-12,34,36H,1-6H3
InChIKeyVRAXHZQGYCOOCL-UHFFFAOYSA-N
MW586.55 g/mol
LogP5.64
Rot. Bonds6

About 5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one

5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one (PubChem CID 163106337) has the molecular formula C32H26O11 and a molecular weight of 586.55 g/mol. Its IUPAC name is 5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one
PubChem CID163106337
Molecular FormulaC32H26O11
Molecular Weight586.55 g/mol
Exact Mass586.15
IUPAC Name5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one
SMILESCOc1cc(OC)c2c(c1)c(-c1c(OC)cc3cc(O)c4c(=O)cc(OC)oc4c3c1OC)c(O)c1c(=O)cc(C)oc12
InChIInChI=1S/C32H26O11/c1-13-7-17(33)27-29(36)25(16-10-15(37-2)11-21(39-4)24(16)32(27)42-13)28-20(38-3)9-14-8-18(34)26-19(35)12-22(40-5)43-31(26)23(14)30(28)41-6/h7-12,34,36H,1-6H3
InChIKeyVRAXHZQGYCOOCL-UHFFFAOYSA-N
XLogP5.64
TPSA147.03 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500586.55
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one
CID 135849817
5,8-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 75361247
5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione
CID 71438742
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
CID 14482774
5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one
CID 162880668
3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid
CID 621352
5-hydroxy-8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-7-methoxy-2-methylchromen-4-one
CID 163020135
(5,6-dimethoxy-2-methyl-4-oxobenzo[g]chromen-8-yl) hydrogen sulfate
CID 101293590
ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 143290576
5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 52918156
4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
CID 631155
6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one
CID 102460794

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one?
The IUPAC name of 5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one (CID 163106337) is 5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one.
What is the SMILES notation for 5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one?
The canonical SMILES for 5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one is COc1cc(OC)c2c(c1)c(-c1c(OC)cc3cc(O)c4c(=O)cc(OC)oc4c3c1OC)c(O)c1c(=O)cc(C)oc12.
What is the InChIKey of 5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one?
The InChIKey is VRAXHZQGYCOOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O11/c1-13-7-17(33)27-29(36)25(16-10-15(37-2)11-21(39-4)24(16)32(27)42-13)28-20(38-3)9-14-8-18(34)26-19(35)12-22(40-5)43-31(26)23(14)30(28)41-6/h7-12,34,36H,1-6H3.
What are the key properties of 5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one?
5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one has a molecular weight of 586.55 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one is sourced from PubChem (CID 163106337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).