magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)

C20H22MgO8 — CID 154644614

IUPACmagnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
SMILESCOc1cc(CCC(=O)[O-])ccc1O.COc1cc(CCC(=O)[O-])ccc1O.[Mg+2]
InChIInChI=1S/2C10H12O4.Mg/c2*1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2*2,4,6,11H,3,5H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyKZFNSBAOCBTYQH-UHFFFAOYSA-L
MW414.69 g/mol
LogP-0.21
Rot. Bonds8

About magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)

magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate) (PubChem CID 154644614) has the molecular formula C20H22MgO8 and a molecular weight of 414.69 g/mol. Its IUPAC name is magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate).

Molecular Properties

Compound Namemagnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
PubChem CID154644614
Molecular FormulaC20H22MgO8
Molecular Weight414.69 g/mol
Exact Mass414.12
IUPAC Namemagnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
SMILESCOc1cc(CCC(=O)[O-])ccc1O.COc1cc(CCC(=O)[O-])ccc1O.[Mg+2]
InChIInChI=1S/2C10H12O4.Mg/c2*1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2*2,4,6,11H,3,5H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyKZFNSBAOCBTYQH-UHFFFAOYSA-L
XLogP-0.21
TPSA139.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.69
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CID 175936648
CID 175936648
ethane;1-(4-hydroxy-3-methoxyphenyl)pentan-3-one
CID 154645810
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
(E)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 10130870
(Z)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 91715816
methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate
CID 134337029
8-(4-hydroxy-3-methoxyphenyl)octanoic acid
CID 25005890
1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,14-dione
CID 70011892
(E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 5318568
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014

Frequently Asked Questions

What is the IUPAC name of magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)?
The IUPAC name of magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate) (CID 154644614) is magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate).
What is the SMILES notation for magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)?
The canonical SMILES for magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate) is COc1cc(CCC(=O)[O-])ccc1O.COc1cc(CCC(=O)[O-])ccc1O.[Mg+2].
What is the InChIKey of magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)?
The InChIKey is KZFNSBAOCBTYQH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H12O4.Mg/c2*1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2*2,4,6,11H,3,5H2,1H3,(H,12,13);/q;;+2/p-2.
What are the key properties of magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)?
magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate) has a molecular weight of 414.69 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate) is sourced from PubChem (CID 154644614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).