copper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate

C19H10CuO6 — CID 10453442

IUPACcopper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate
SMILESO=c1oc2ccccc2c([O-])c1Cc1c([O-])c2ccccc2oc1=O.[Cu+2]
InChIInChI=1S/C19H12O6.Cu/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23;/h1-8,20-21H,9H2;/q;+2/p-2
InChIKeyUJJYEFFLXAVOCB-UHFFFAOYSA-L
MW397.83 g/mol
LogP1.63
Rot. Bonds2

About copper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate

copper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate (PubChem CID 10453442) has the molecular formula C19H10CuO6 and a molecular weight of 397.83 g/mol. Its IUPAC name is copper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate.

Molecular Properties

Compound Namecopper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate
PubChem CID10453442
Molecular FormulaC19H10CuO6
Molecular Weight397.83 g/mol
Exact Mass396.98
IUPAC Namecopper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate
SMILESO=c1oc2ccccc2c([O-])c1Cc1c([O-])c2ccccc2oc1=O.[Cu+2]
InChIInChI=1S/C19H12O6.Cu/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23;/h1-8,20-21H,9H2;/q;+2/p-2
InChIKeyUJJYEFFLXAVOCB-UHFFFAOYSA-L
XLogP1.63
TPSA106.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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4-methyl-3-(2-methylpropyl)chromen-2-one
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CID 59760668
3-acetyl-4-benzylchromen-2-one
CID 100994271
4-hydroxy-3-[(4-methylphenyl)methyl]chromen-2-one
CID 76852674
3-(methoxymethoxy)-4-methylchromen-2-one
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4-hydroxy-3-prop-2-enylchromen-2-one
CID 54710499
2-carboxy-1-benzofuran-3-olate
CID 54715094
acetic acid;3-benzyl-4-hydroxychromen-2-one;methane
CID 160553428

Frequently Asked Questions

What is the IUPAC name of copper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate?
The IUPAC name of copper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate (CID 10453442) is copper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate.
What is the SMILES notation for copper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate?
The canonical SMILES for copper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate is O=c1oc2ccccc2c([O-])c1Cc1c([O-])c2ccccc2oc1=O.[Cu+2].
What is the InChIKey of copper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate?
The InChIKey is UJJYEFFLXAVOCB-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H12O6.Cu/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23;/h1-8,20-21H,9H2;/q;+2/p-2.
What are the key properties of copper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate?
copper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate has a molecular weight of 397.83 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper 3-[(4-oxido-2-oxochromen-3-yl)methyl]-2-oxochromen-4-olate is sourced from PubChem (CID 10453442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).