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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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 23761180
2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-propan-2-ylphenol
CID 136706319
N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 5165015
N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 2358363
4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
CID 136693653
4-[[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
CID 174598754
1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine
CID 126386568
4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol
CID 136669440
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 69301541
N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 4505600
2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135821844
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284

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).