copper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide

C11H15CuO3 — CID 10753734

IUPACcopper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide
SMILESCCOC(C)Oc1[c-]c(OC)ccc1.[Cu+]
InChIInChI=1S/C11H15O3.Cu/c1-4-13-9(2)14-11-7-5-6-10(8-11)12-3;/h5-7,9H,4H2,1-3H3;/q-1;+1
InChIKeyCIEIXLQIARMJJL-UHFFFAOYSA-N
MW258.78 g/mol
LogP2.25
Rot. Bonds5

About copper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide

copper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide (PubChem CID 10753734) has the molecular formula C11H15CuO3 and a molecular weight of 258.78 g/mol. Its IUPAC name is copper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide.

Molecular Properties

Compound Namecopper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide
PubChem CID10753734
Molecular FormulaC11H15CuO3
Molecular Weight258.78 g/mol
Exact Mass258.03
IUPAC Namecopper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide
SMILESCCOC(C)Oc1[c-]c(OC)ccc1.[Cu+]
InChIInChI=1S/C11H15O3.Cu/c1-4-13-9(2)14-11-7-5-6-10(8-11)12-3;/h5-7,9H,4H2,1-3H3;/q-1;+1
InChIKeyCIEIXLQIARMJJL-UHFFFAOYSA-N
XLogP2.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.78
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide?
The IUPAC name of copper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide (CID 10753734) is copper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide.
What is the SMILES notation for copper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide?
The canonical SMILES for copper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide is CCOC(C)Oc1[c-]c(OC)ccc1.[Cu+].
What is the InChIKey of copper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide?
The InChIKey is CIEIXLQIARMJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O3.Cu/c1-4-13-9(2)14-11-7-5-6-10(8-11)12-3;/h5-7,9H,4H2,1-3H3;/q-1;+1.
What are the key properties of copper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide?
copper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide has a molecular weight of 258.78 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1-(1-ethoxyethoxy)-3-methoxybenzene-2-ide is sourced from PubChem (CID 10753734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).