copper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol)

C30H30CuN2O2 — CID 135437208

IUPACcopper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol)
SMILESC[C@H](/N=C/c1ccccc1O)c1ccccc1.C[C@H](/N=C/c1ccccc1O)c1ccccc1.[Cu]
InChIInChI=1S/2C15H15NO.Cu/c2*1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17;/h2*2-12,17H,1H3;/b2*16-11+;/t2*12-;/m00./s1
InChIKeyKPZICMWEQBNCOQ-GYIXQFNUSA-N
MW514.13 g/mol
LogP7.14
Rot. Bonds6

About copper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol)

copper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol) (PubChem CID 135437208) has the molecular formula C30H30CuN2O2 and a molecular weight of 514.13 g/mol. Its IUPAC name is copper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol).

Molecular Properties

Compound Namecopper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol)
PubChem CID135437208
Molecular FormulaC30H30CuN2O2
Molecular Weight514.13 g/mol
Exact Mass513.16
IUPAC Namecopper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol)
SMILESC[C@H](/N=C/c1ccccc1O)c1ccccc1.C[C@H](/N=C/c1ccccc1O)c1ccccc1.[Cu]
InChIInChI=1S/2C15H15NO.Cu/c2*1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17;/h2*2-12,17H,1H3;/b2*16-11+;/t2*12-;/m00./s1
InChIKeyKPZICMWEQBNCOQ-GYIXQFNUSA-N
XLogP7.14
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.13
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol)?
The IUPAC name of copper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol) (CID 135437208) is copper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol).
What is the SMILES notation for copper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol)?
The canonical SMILES for copper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol) is C[C@H](/N=C/c1ccccc1O)c1ccccc1.C[C@H](/N=C/c1ccccc1O)c1ccccc1.[Cu].
What is the InChIKey of copper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol)?
The InChIKey is KPZICMWEQBNCOQ-GYIXQFNUSA-N. The full InChI is InChI=1S/2C15H15NO.Cu/c2*1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17;/h2*2-12,17H,1H3;/b2*16-11+;/t2*12-;/m00./s1.
What are the key properties of copper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol)?
copper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol) has a molecular weight of 514.13 g/mol, XLogP of 7.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-[[(1S)-1-phenylethyl]iminomethyl]phenol) is sourced from PubChem (CID 135437208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).