magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate

C15H14MgO2 — CID 147715215

IUPACmagnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate
SMILESCc1ccc([O-])c(Cc2cc(C)ccc2[O-])c1.[Mg+2]
InChIInChI=1S/C15H16O2.Mg/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17;/h3-8,16-17H,9H2,1-2H3;/q;+2/p-2
InChIKeyGVMKYCKDNLXPTN-UHFFFAOYSA-L
MW250.58 g/mol
LogP1.66
Rot. Bonds2

About magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate

magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate (PubChem CID 147715215) has the molecular formula C15H14MgO2 and a molecular weight of 250.58 g/mol. Its IUPAC name is magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate.

Molecular Properties

Compound Namemagnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate
PubChem CID147715215
Molecular FormulaC15H14MgO2
Molecular Weight250.58 g/mol
Exact Mass250.08
IUPAC Namemagnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate
SMILESCc1ccc([O-])c(Cc2cc(C)ccc2[O-])c1.[Mg+2]
InChIInChI=1S/C15H16O2.Mg/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17;/h3-8,16-17H,9H2,1-2H3;/q;+2/p-2
InChIKeyGVMKYCKDNLXPTN-UHFFFAOYSA-L
XLogP1.66
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.58
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

potassium 2,4-dimethylphenolate
CID 23677781
1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489
[4-methyl-2-[2-(5-methyl-2-oxidosulfonothioylphenyl)ethyl]phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane
CID 21115364
tetrakis(dichloromethane);octakis(4-methyl-2-[[[(1R,2R)-2-[(5-methyl-2-oxidophenyl)methylamino]cyclohexyl]amino]methyl]phenolate);octakis(oxygen(2-));octakis(titanium(4+))
CID 139136251
beryllium 2-[(2-oxido-5-phenylphenyl)methyl]-4-phenylphenolate
CID 23597058
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
1,2-diethyl-4-methylbenzene;methane
CID 174446118
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
[4-methyl-2-(sulfanylmethyl)phenyl]methanethiol
CID 89270065
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
2-ethyl-4-methylbenzaldehyde
CID 58929233

Frequently Asked Questions

What is the IUPAC name of magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate?
The IUPAC name of magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate (CID 147715215) is magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate.
What is the SMILES notation for magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate?
The canonical SMILES for magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate is Cc1ccc([O-])c(Cc2cc(C)ccc2[O-])c1.[Mg+2].
What is the InChIKey of magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate?
The InChIKey is GVMKYCKDNLXPTN-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H16O2.Mg/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17;/h3-8,16-17H,9H2,1-2H3;/q;+2/p-2.
What are the key properties of magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate?
magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate has a molecular weight of 250.58 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 4-methyl-2-[(5-methyl-2-oxidophenyl)methyl]phenolate is sourced from PubChem (CID 147715215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).