copper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate

C20H15ClCuN2O7 — CID 139074559

IUPACcopper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate
SMILESCOc1cccc(C=O)c1[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C8H8O3.ClHO4.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-11-7-4-2-3-6(5-9)8(7)10;2-1(3,4)5;/h1-8H;2-5,10H,1H3;(H,2,3,4,5);/q;;;+2/p-2
InChIKeyKCMIVXRSKKBPSA-UHFFFAOYSA-L
MW494.35 g/mol
LogP-1.39
Rot. Bonds2

About copper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate

copper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate (PubChem CID 139074559) has the molecular formula C20H15ClCuN2O7 and a molecular weight of 494.35 g/mol. Its IUPAC name is copper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate.

Molecular Properties

Compound Namecopper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate
PubChem CID139074559
Molecular FormulaC20H15ClCuN2O7
Molecular Weight494.35 g/mol
Exact Mass492.99
IUPAC Namecopper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate
SMILESCOc1cccc(C=O)c1[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C8H8O3.ClHO4.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-11-7-4-2-3-6(5-9)8(7)10;2-1(3,4)5;/h1-8H;2-5,10H,1H3;(H,2,3,4,5);/q;;;+2/p-2
InChIKeyKCMIVXRSKKBPSA-UHFFFAOYSA-L
XLogP-1.39
TPSA167.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.35
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-N-(8-quinolinyl)benzamide
CID 835942
(E)-1-(3,4-dimethoxyphenyl)-3-(9-methylpyrido[3,4-b]indol-1-yl)prop-2-en-1-one
CID 90681573
(E)-1-(3,4-dimethoxyphenyl)-3-(9-ethylpyrido[3,4-b]indol-1-yl)prop-2-en-1-one
CID 90681578
1-(2-(3,4-Dimethoxyphenyl)-2-oxoethyl)(1,10)phenanthrolin-1-ium bromide
CID 90486694
1-(1,3-Benzodioxol-5-yl)-3-quinoxalin-5-ylprop-2-en-1-one
CID 45835645
12-fluoro-6,7-dimethoxy-8H-benzo[c]indolo[3,2,1-ij][1,5]naphthyridin-8-one
CID 8016687
5-Fluoro-8-[4-[4-(7-methoxy-1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]quinoline
CID 11201989
6-Fluoro-8-[4-[4-(7-methoxy-1-benzofuran-3-yl)cyclohexyl]piperazin-1-yl]quinoline
CID 11305689
Bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline
CID 139040814
(5,6-Dimethyl-1,10-phenanthroline-N,N')(nitrato-O)(salicylaldehydato-O,O) copper(II)
CID 139056657
Aqua(4,7-diphenyl-1,10-phenanthroline)(salicylaldehydato)copper(II) nitrate monohydrate
CID 139056658
(4-Bromo-2-formylphenolato)perchlorato(1,10-phenanthroline)copper(II)
CID 139059900

Frequently Asked Questions

What is the IUPAC name of copper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate?
The IUPAC name of copper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate (CID 139074559) is copper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate.
What is the SMILES notation for copper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate?
The canonical SMILES for copper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate is COc1cccc(C=O)c1[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate?
The InChIKey is KCMIVXRSKKBPSA-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2.C8H8O3.ClHO4.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-11-7-4-2-3-6(5-9)8(7)10;2-1(3,4)5;/h1-8H;2-5,10H,1H3;(H,2,3,4,5);/q;;;+2/p-2.
What are the key properties of copper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate?
copper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate has a molecular weight of 494.35 g/mol, XLogP of -1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-formyl-6-methoxyphenolate;1,10-phenanthroline;perchlorate is sourced from PubChem (CID 139074559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).