sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+)

C18H24FeN2NaO6+4 — CID 23623782

IUPACsodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+)
SMILESN.N.O=C(Cc1ccccc1O)OCCOC(=O)Cc1ccccc1O.[Fe+3].[Na+]
InChIInChI=1S/C18H18O6.Fe.2H3N.Na/c19-15-7-3-1-5-13(15)11-17(21)23-9-10-24-18(22)12-14-6-2-4-8-16(14)20;;;;/h1-8,19-20H,9-12H2;;2*1H3;/q;+3;;;+1
InChIKeyIJVSMHVBOFVRCL-UHFFFAOYSA-N
MW443.23 g/mol
LogP-0.71
Rot. Bonds7

About sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+)

sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+) (PubChem CID 23623782) has the molecular formula C18H24FeN2NaO6+4 and a molecular weight of 443.23 g/mol. Its IUPAC name is sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+).

Molecular Properties

Compound Namesodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+)
PubChem CID23623782
Molecular FormulaC18H24FeN2NaO6+4
Molecular Weight443.23 g/mol
Exact Mass443.09
IUPAC Namesodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+)
SMILESN.N.O=C(Cc1ccccc1O)OCCOC(=O)Cc1ccccc1O.[Fe+3].[Na+]
InChIInChI=1S/C18H18O6.Fe.2H3N.Na/c19-15-7-3-1-5-13(15)11-17(21)23-9-10-24-18(22)12-14-6-2-4-8-16(14)20;;;;/h1-8,19-20H,9-12H2;;2*1H3;/q;+3;;;+1
InChIKeyIJVSMHVBOFVRCL-UHFFFAOYSA-N
XLogP-0.71
TPSA163.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

octyl 2-(2-hydroxyphenyl)acetate
CID 174380401
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
2-phenylethyl 2-(2-bromophenyl)acetate
CID 141456939
sodium 3-(2-hydroxyphenyl)-2-oxopropanoate
CID 118606746
1-amino-3-(2-hydroxyphenyl)propan-2-one
CID 141322546
2-(2-hydroxyphenyl)ethyl methyl carbonate
CID 102381478
2-chloroethyl 2-(2-chlorophenyl)acetate
CID 176908956
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589
bis[2-(2,3-dihydroxyphenyl)ethyl] butanedioate
CID 174992498

Frequently Asked Questions

What is the IUPAC name of sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+)?
The IUPAC name of sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+) (CID 23623782) is sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+).
What is the SMILES notation for sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+)?
The canonical SMILES for sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+) is N.N.O=C(Cc1ccccc1O)OCCOC(=O)Cc1ccccc1O.[Fe+3].[Na+].
What is the InChIKey of sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+)?
The InChIKey is IJVSMHVBOFVRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6.Fe.2H3N.Na/c19-15-7-3-1-5-13(15)11-17(21)23-9-10-24-18(22)12-14-6-2-4-8-16(14)20;;;;/h1-8,19-20H,9-12H2;;2*1H3;/q;+3;;;+1.
What are the key properties of sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+)?
sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+) has a molecular weight of 443.23 g/mol, XLogP of -0.71, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+) is sourced from PubChem (CID 23623782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).