copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol

C17H14CuN2O — CID 135967337

IUPACcopper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol
SMILESOc1c(/C=N/c2ccccc2)cccc1-c1ccc[nH]1.[Cu]
InChIInChI=1S/C17H14N2O.Cu/c20-17-13(12-19-14-7-2-1-3-8-14)6-4-9-15(17)16-10-5-11-18-16;/h1-12,18,20H;/b19-12+;
InChIKeyBROCFWAZCBCRPQ-NNTHFVATSA-N
MW325.86 g/mol
LogP4.14
Rot. Bonds3

About copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol

copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol (PubChem CID 135967337) has the molecular formula C17H14CuN2O and a molecular weight of 325.86 g/mol. Its IUPAC name is copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol.

Molecular Properties

Compound Namecopper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol
PubChem CID135967337
Molecular FormulaC17H14CuN2O
Molecular Weight325.86 g/mol
Exact Mass325.04
IUPAC Namecopper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol
SMILESOc1c(/C=N/c2ccccc2)cccc1-c1ccc[nH]1.[Cu]
InChIInChI=1S/C17H14N2O.Cu/c20-17-13(12-19-14-7-2-1-3-8-14)6-4-9-15(17)16-10-5-11-18-16;/h1-12,18,20H;/b19-12+;
InChIKeyBROCFWAZCBCRPQ-NNTHFVATSA-N
XLogP4.14
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
CID 135967304
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
N-phenyl-1-(1H-pyrrol-2-yl)methanimine
CID 139135949
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
9-methylidene-3-(phenyliminomethyl)fluoren-4-ol
CID 136598683
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol
CID 135967283
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331
2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole
CID 11265392
5-(1H-pyrrol-2-yl)naphthalen-1-ol
CID 57034694

Frequently Asked Questions

What is the IUPAC name of copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol?
The IUPAC name of copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol (CID 135967337) is copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol.
What is the SMILES notation for copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol?
The canonical SMILES for copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol is Oc1c(/C=N/c2ccccc2)cccc1-c1ccc[nH]1.[Cu].
What is the InChIKey of copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol?
The InChIKey is BROCFWAZCBCRPQ-NNTHFVATSA-N. The full InChI is InChI=1S/C17H14N2O.Cu/c20-17-13(12-19-14-7-2-1-3-8-14)6-4-9-15(17)16-10-5-11-18-16;/h1-12,18,20H;/b19-12+;.
What are the key properties of copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol?
copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol has a molecular weight of 325.86 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-(phenyliminomethyl)-6-(1H-pyrrol-2-yl)phenol is sourced from PubChem (CID 135967337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).