magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one

C17H14MgO3+2 — CID 19939019

IUPACmagnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one
SMILESCc1ccc(-c2oc3ccccc3c(=O)c2O)cc1C.[Mg+2]
InChIInChI=1S/C17H14O3.Mg/c1-10-7-8-12(9-11(10)2)17-16(19)15(18)13-5-3-4-6-14(13)20-17;/h3-9,19H,1-2H3;/q;+2
InChIKeyLHBRAJXPRZEYII-UHFFFAOYSA-N
MW290.60 g/mol
LogP3.40
Rot. Bonds1

About magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one

magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one (PubChem CID 19939019) has the molecular formula C17H14MgO3+2 and a molecular weight of 290.60 g/mol. Its IUPAC name is magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one.

Molecular Properties

Compound Namemagnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one
PubChem CID19939019
Molecular FormulaC17H14MgO3+2
Molecular Weight290.60 g/mol
Exact Mass290.08
IUPAC Namemagnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one
SMILESCc1ccc(-c2oc3ccccc3c(=O)c2O)cc1C.[Mg+2]
InChIInChI=1S/C17H14O3.Mg/c1-10-7-8-12(9-11(10)2)17-16(19)15(18)13-5-3-4-6-14(13)20-17;/h3-9,19H,1-2H3;/q;+2
InChIKeyLHBRAJXPRZEYII-UHFFFAOYSA-N
XLogP3.40
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.60
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-hydroxy-2-phenylchromen-4-one;sulfuric acid
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2-(4-hydroxyphenyl)-3-methylchromen-4-one
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Frequently Asked Questions

What is the IUPAC name of magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one?
The IUPAC name of magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one (CID 19939019) is magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one.
What is the SMILES notation for magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one?
The canonical SMILES for magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one is Cc1ccc(-c2oc3ccccc3c(=O)c2O)cc1C.[Mg+2].
What is the InChIKey of magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one?
The InChIKey is LHBRAJXPRZEYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3.Mg/c1-10-7-8-12(9-11(10)2)17-16(19)15(18)13-5-3-4-6-14(13)20-17;/h3-9,19H,1-2H3;/q;+2.
What are the key properties of magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one?
magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one has a molecular weight of 290.60 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one is sourced from PubChem (CID 19939019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).