chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol

C19H23ClCuNO4 — CID 58615876

IUPACchlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol
SMILESCOc1cc(/C=N/c2cccc(C(C)C)c2O)cc(OC)c1OC.Cl[Cu]
InChIInChI=1S/C19H23NO4.ClH.Cu/c1-12(2)14-7-6-8-15(18(14)21)20-11-13-9-16(22-3)19(24-5)17(10-13)23-4;;/h6-12,21H,1-5H3;1H;/q;;+1/p-1/b20-11+;;
InChIKeyKVALTVLVMCDTLO-XIIGDXBDSA-M
MW428.40 g/mol
LogP4.98
Rot. Bonds6

About chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol

chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol (PubChem CID 58615876) has the molecular formula C19H23ClCuNO4 and a molecular weight of 428.40 g/mol. Its IUPAC name is chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol.

Molecular Properties

Compound Namechlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol
PubChem CID58615876
Molecular FormulaC19H23ClCuNO4
Molecular Weight428.40 g/mol
Exact Mass427.06
IUPAC Namechlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol
SMILESCOc1cc(/C=N/c2cccc(C(C)C)c2O)cc(OC)c1OC.Cl[Cu]
InChIInChI=1S/C19H23NO4.ClH.Cu/c1-12(2)14-7-6-8-15(18(14)21)20-11-13-9-16(22-3)19(24-5)17(10-13)23-4;;/h6-12,21H,1-5H3;1H;/q;;+1/p-1/b20-11+;;
InChIKeyKVALTVLVMCDTLO-XIIGDXBDSA-M
XLogP4.98
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol?
The IUPAC name of chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol (CID 58615876) is chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol.
What is the SMILES notation for chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol?
The canonical SMILES for chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol is COc1cc(/C=N/c2cccc(C(C)C)c2O)cc(OC)c1OC.Cl[Cu].
What is the InChIKey of chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol?
The InChIKey is KVALTVLVMCDTLO-XIIGDXBDSA-M. The full InChI is InChI=1S/C19H23NO4.ClH.Cu/c1-12(2)14-7-6-8-15(18(14)21)20-11-13-9-16(22-3)19(24-5)17(10-13)23-4;;/h6-12,21H,1-5H3;1H;/q;;+1/p-1/b20-11+;;.
What are the key properties of chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol?
chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol has a molecular weight of 428.40 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper;2-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylideneamino]phenol is sourced from PubChem (CID 58615876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).