magnesium bis(3-chloro-5-methoxybenzoate)

C16H12Cl2MgO6 — CID 160501066

IUPACmagnesium bis(3-chloro-5-methoxybenzoate)
SMILESCOc1cc(Cl)cc(C(=O)[O-])c1.COc1cc(Cl)cc(C(=O)[O-])c1.[Mg+2]
InChIInChI=1S/2C8H7ClO3.Mg/c2*1-12-7-3-5(8(10)11)2-6(9)4-7;/h2*2-4H,1H3,(H,10,11);/q;;+2/p-2
InChIKeyQKPXJQFVSOLRJE-UHFFFAOYSA-L
MW395.48 g/mol
LogP1.04
Rot. Bonds4

About magnesium bis(3-chloro-5-methoxybenzoate)

magnesium bis(3-chloro-5-methoxybenzoate) (PubChem CID 160501066) has the molecular formula C16H12Cl2MgO6 and a molecular weight of 395.48 g/mol. Its IUPAC name is magnesium bis(3-chloro-5-methoxybenzoate).

Molecular Properties

Compound Namemagnesium bis(3-chloro-5-methoxybenzoate)
PubChem CID160501066
Molecular FormulaC16H12Cl2MgO6
Molecular Weight395.48 g/mol
Exact Mass393.99
IUPAC Namemagnesium bis(3-chloro-5-methoxybenzoate)
SMILESCOc1cc(Cl)cc(C(=O)[O-])c1.COc1cc(Cl)cc(C(=O)[O-])c1.[Mg+2]
InChIInChI=1S/2C8H7ClO3.Mg/c2*1-12-7-3-5(8(10)11)2-6(9)4-7;/h2*2-4H,1H3,(H,10,11);/q;;+2/p-2
InChIKeyQKPXJQFVSOLRJE-UHFFFAOYSA-L
XLogP1.04
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

lithium 3,5-dimethoxybenzoate
CID 19205782
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CID 134658373
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 60965946
methyl 3-(3,5-dichlorophenyl)-5-methoxybenzoate
CID 75488427
methyl 3-chloro-5-methoxybenzenecarboximidothioate
CID 58503684
3-chloro-N-(3-hydroxy-3-methylbutyl)-5-methoxy-N-methylbenzamide
CID 56862267
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
2-[(3-chloro-5-methoxyphenyl)-methoxymethylidene]adamantane
CID 22948017
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
(3-chloro-5-methoxyphenyl)hydrazine;phosphoric acid
CID 174887306
tert-butyl (2R)-2-(3-chloro-5-methoxybenzoyl)azetidine-1-carboxylate
CID 155220695

Frequently Asked Questions

What is the IUPAC name of magnesium bis(3-chloro-5-methoxybenzoate)?
The IUPAC name of magnesium bis(3-chloro-5-methoxybenzoate) (CID 160501066) is magnesium bis(3-chloro-5-methoxybenzoate).
What is the SMILES notation for magnesium bis(3-chloro-5-methoxybenzoate)?
The canonical SMILES for magnesium bis(3-chloro-5-methoxybenzoate) is COc1cc(Cl)cc(C(=O)[O-])c1.COc1cc(Cl)cc(C(=O)[O-])c1.[Mg+2].
What is the InChIKey of magnesium bis(3-chloro-5-methoxybenzoate)?
The InChIKey is QKPXJQFVSOLRJE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H7ClO3.Mg/c2*1-12-7-3-5(8(10)11)2-6(9)4-7;/h2*2-4H,1H3,(H,10,11);/q;;+2/p-2.
What are the key properties of magnesium bis(3-chloro-5-methoxybenzoate)?
magnesium bis(3-chloro-5-methoxybenzoate) has a molecular weight of 395.48 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(3-chloro-5-methoxybenzoate) is sourced from PubChem (CID 160501066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).