magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride

C15H13ClMgO4 — CID 140712283

IUPACmagnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride
SMILESCCOC(=O)Oc1ccccc1-c1ccccc1[O-].[Cl-].[Mg+2]
InChIInChI=1S/C15H14O4.ClH.Mg/c1-2-18-15(17)19-14-10-6-4-8-12(14)11-7-3-5-9-13(11)16;;/h3-10,16H,2H2,1H3;1H;/q;;+2/p-2
InChIKeyPOSNKHQCUTWRFH-UHFFFAOYSA-L
MW317.02 g/mol
LogP-0.41
Rot. Bonds3

About magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride

magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride (PubChem CID 140712283) has the molecular formula C15H13ClMgO4 and a molecular weight of 317.02 g/mol. Its IUPAC name is magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride.

Molecular Properties

Compound Namemagnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride
PubChem CID140712283
Molecular FormulaC15H13ClMgO4
Molecular Weight317.02 g/mol
Exact Mass316.04
IUPAC Namemagnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride
SMILESCCOC(=O)Oc1ccccc1-c1ccccc1[O-].[Cl-].[Mg+2]
InChIInChI=1S/C15H14O4.ClH.Mg/c1-2-18-15(17)19-14-10-6-4-8-12(14)11-7-3-5-9-13(11)16;;/h3-10,16H,2H2,1H3;1H;/q;;+2/p-2
InChIKeyPOSNKHQCUTWRFH-UHFFFAOYSA-L
XLogP-0.41
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.02
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyanomethyl)phenyl] ethyl carbonate
CID 165430803
(2-ethoxycarbonyloxyphenyl) propyl carbonate
CID 171768245
2-(2-ethoxycarbonyloxyphenyl)acetic acid
CID 122517223
[2-[2-[3-[5-(2-ethoxycarbonyloxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]phenyl] ethyl carbonate
CID 118529877
chloromethoxycarbonyl 2-ethoxycarbonyloxybenzoate
CID 144553181
ethyl [3,8,9-tris(ethoxycarbonyloxy)-2-tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),2,4,6,8,10(14),11-heptaenyl] carbonate
CID 140957707
(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate
CID 14302873
ethyl 3-(2-ethoxycarbonyloxyphenyl)-2-methylpropanoate
CID 122517254
ethyl (2-heptylphenyl) carbonate
CID 67181360
[4-(2-ethoxycarbonyloxybenzoyl)oxycyclohexyl] 2-acetyloxybenzoate
CID 89252836
ethyl (2R)-2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate
CID 1380820
[2-(2-methylphenyl)phenyl] propanoate
CID 145045577

Frequently Asked Questions

What is the IUPAC name of magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride?
The IUPAC name of magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride (CID 140712283) is magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride.
What is the SMILES notation for magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride?
The canonical SMILES for magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride is CCOC(=O)Oc1ccccc1-c1ccccc1[O-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride?
The InChIKey is POSNKHQCUTWRFH-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H14O4.ClH.Mg/c1-2-18-15(17)19-14-10-6-4-8-12(14)11-7-3-5-9-13(11)16;;/h3-10,16H,2H2,1H3;1H;/q;;+2/p-2.
What are the key properties of magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride?
magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride has a molecular weight of 317.02 g/mol, XLogP of -0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(2-ethoxycarbonyloxyphenyl)phenolate;chloride is sourced from PubChem (CID 140712283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).