magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate)

C32H22MgO14 — CID 11585501

IUPACmagnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate)
SMILESCOc1cc(O)cc2oc(-c3ccc(O)cc3O)c([O-])c(=O)c12.COc1cc(O)cc2oc(-c3ccc(O)cc3O)c([O-])c(=O)c12.[Mg+2]
InChIInChI=1S/2C16H12O7.Mg/c2*1-22-11-5-8(18)6-12-13(11)14(20)15(21)16(23-12)9-3-2-7(17)4-10(9)19;/h2*2-6,17-19,21H,1H3;/q;;+2/p-2
InChIKeyLMDXUDVICIIODN-UHFFFAOYSA-L
MW654.82 g/mol
LogP2.94
Rot. Bonds4

About magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate)

magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate) (PubChem CID 11585501) has the molecular formula C32H22MgO14 and a molecular weight of 654.82 g/mol. Its IUPAC name is magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate).

Molecular Properties

Compound Namemagnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate)
PubChem CID11585501
Molecular FormulaC32H22MgO14
Molecular Weight654.82 g/mol
Exact Mass654.09
IUPAC Namemagnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate)
SMILESCOc1cc(O)cc2oc(-c3ccc(O)cc3O)c([O-])c(=O)c12.COc1cc(O)cc2oc(-c3ccc(O)cc3O)c([O-])c(=O)c12.[Mg+2]
InChIInChI=1S/2C16H12O7.Mg/c2*1-22-11-5-8(18)6-12-13(11)14(20)15(21)16(23-12)9-3-2-7(17)4-10(9)19;/h2*2-6,17-19,21H,1H3;/q;;+2/p-2
InChIKeyLMDXUDVICIIODN-UHFFFAOYSA-L
XLogP2.94
TPSA246.38 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500654.82
LogP ≤ 52.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-3-(3-methylbut-2-enyl)chromen-4-one
CID 162859073
1,2,6-trihydroxy-8-methoxyxanthen-9-one
CID 123716536
7-hydroxy-2-(4-hydroxyphenoxy)-3,5-dimethoxychromen-4-one
CID 163010964
4-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-2-hydroxy-6-methoxyphenolate
CID 90658078
cyclohexane-1,2,3,4,5,6-hexol;2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 70292403
[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] nitrite
CID 24840571
3-amino-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
CID 89116863
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 5280862
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905
2-(2,4-dihydroxyphenyl)-4-hydroxy-5-(2-hydroxy-3-methylbut-3-enyl)-6-methoxy-1-benzofuran-3-carbaldehyde
CID 25157570
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-nitrochromen-4-one
CID 91016864
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate)?
The IUPAC name of magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate) (CID 11585501) is magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate).
What is the SMILES notation for magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate)?
The canonical SMILES for magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate) is COc1cc(O)cc2oc(-c3ccc(O)cc3O)c([O-])c(=O)c12.COc1cc(O)cc2oc(-c3ccc(O)cc3O)c([O-])c(=O)c12.[Mg+2].
What is the InChIKey of magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate)?
The InChIKey is LMDXUDVICIIODN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H12O7.Mg/c2*1-22-11-5-8(18)6-12-13(11)14(20)15(21)16(23-12)9-3-2-7(17)4-10(9)19;/h2*2-6,17-19,21H,1H3;/q;;+2/p-2.
What are the key properties of magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate)?
magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate) has a molecular weight of 654.82 g/mol, XLogP of 2.94, 4 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4-oxochromen-3-olate) is sourced from PubChem (CID 11585501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).