cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol

C30H28CoN2O4 — CID 135440453

IUPACcobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol
SMILESCOc1ccccc1[C@@H](/N=C/c1ccccc1O)[C@@H](/N=C/c1ccccc1O)c1ccccc1OC.[Co]
InChIInChI=1S/C30H28N2O4.Co/c1-35-27-17-9-5-13-23(27)29(31-19-21-11-3-7-15-25(21)33)30(24-14-6-10-18-28(24)36-2)32-20-22-12-4-8-16-26(22)34;/h3-20,29-30,33-34H,1-2H3;/b31-19+,32-20+;/t29-,30+;
InChIKeyPBHKJMZZEZLHFP-SZJUQYFLSA-N
MW539.50 g/mol
LogP6.13
Rot. Bonds9

About cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol

cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol (PubChem CID 135440453) has the molecular formula C30H28CoN2O4 and a molecular weight of 539.50 g/mol. Its IUPAC name is cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol.

Molecular Properties

Compound Namecobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol
PubChem CID135440453
Molecular FormulaC30H28CoN2O4
Molecular Weight539.50 g/mol
Exact Mass539.14
IUPAC Namecobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol
SMILESCOc1ccccc1[C@@H](/N=C/c1ccccc1O)[C@@H](/N=C/c1ccccc1O)c1ccccc1OC.[Co]
InChIInChI=1S/C30H28N2O4.Co/c1-35-27-17-9-5-13-23(27)29(31-19-21-11-3-7-15-25(21)33)30(24-14-6-10-18-28(24)36-2)32-20-22-12-4-8-16-26(22)34;/h3-20,29-30,33-34H,1-2H3;/b31-19+,32-20+;/t29-,30+;
InChIKeyPBHKJMZZEZLHFP-SZJUQYFLSA-N
XLogP6.13
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.50
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478776
2-[[(1R,2S)-1,2-bis(6-chloro-2-fluoro-3-methoxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
CID 135507370
2-[[(1S,2S)-1,2-bis(2-chloro-6-fluoro-3-methoxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
CID 135488096
2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt
CID 135514483
2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 177385575
2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 135730678
2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
CID 154704907
1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine
CID 10637187
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
N-[1-(2-chlorophenyl)ethyl]-1-(2-methoxyphenyl)methanimine
CID 22483144
methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate
CID 135433741
2-[(1R,2S)-2-(2-hydroxyphenyl)-1,2-bis[(4-methoxy-2,6-dimethylphenyl)methylideneamino]ethyl]phenol
CID 70347590

Frequently Asked Questions

What is the IUPAC name of cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol?
The IUPAC name of cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol (CID 135440453) is cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol.
What is the SMILES notation for cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol?
The canonical SMILES for cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol is COc1ccccc1[C@@H](/N=C/c1ccccc1O)[C@@H](/N=C/c1ccccc1O)c1ccccc1OC.[Co].
What is the InChIKey of cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol?
The InChIKey is PBHKJMZZEZLHFP-SZJUQYFLSA-N. The full InChI is InChI=1S/C30H28N2O4.Co/c1-35-27-17-9-5-13-23(27)29(31-19-21-11-3-7-15-25(21)33)30(24-14-6-10-18-28(24)36-2)32-20-22-12-4-8-16-26(22)34;/h3-20,29-30,33-34H,1-2H3;/b31-19+,32-20+;/t29-,30+;.
What are the key properties of cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol?
cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol has a molecular weight of 539.50 g/mol, XLogP of 6.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol is sourced from PubChem (CID 135440453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).