2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt

C28H24CoN2O4 — CID 135514483

IUPAC2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt
SMILESOc1ccc([C@@H](/N=C/c2ccccc2O)[C@@H](/N=C/c2ccccc2O)c2ccc(O)cc2)cc1.[Co]
InChIInChI=1S/C28H24N2O4.Co/c31-23-13-9-19(10-14-23)27(29-17-21-5-1-3-7-25(21)33)28(20-11-15-24(32)16-12-20)30-18-22-6-2-4-8-26(22)34;/h1-18,27-28,31-34H;/b29-17+,30-18+;/t27-,28+;
InChIKeyWJRJWPNOVZIHII-KTNDRTGNSA-N
MW511.44 g/mol
LogP5.53
Rot. Bonds7

About 2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt

2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt (PubChem CID 135514483) has the molecular formula C28H24CoN2O4 and a molecular weight of 511.44 g/mol. Its IUPAC name is 2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt.

Molecular Properties

Compound Name2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt
PubChem CID135514483
Molecular FormulaC28H24CoN2O4
Molecular Weight511.44 g/mol
Exact Mass511.11
IUPAC Name2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt
SMILESOc1ccc([C@@H](/N=C/c2ccccc2O)[C@@H](/N=C/c2ccccc2O)c2ccc(O)cc2)cc1.[Co]
InChIInChI=1S/C28H24N2O4.Co/c31-23-13-9-19(10-14-23)27(29-17-21-5-1-3-7-25(21)33)28(20-11-15-24(32)16-12-20)30-18-22-6-2-4-8-26(22)34;/h1-18,27-28,31-34H;/b29-17+,30-18+;/t27-,28+;
InChIKeyWJRJWPNOVZIHII-KTNDRTGNSA-N
XLogP5.53
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.44
LogP ≤ 55.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1R,2S)-1,2-bis(3-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
CID 135431645
2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
CID 154704907
4-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]iminomethyl]benzene-1,3-diol
CID 136694888
cobalt;2-[[(1S,2R)-2-[(2-hydroxyphenyl)methylideneamino]-1,2-bis(2-methoxyphenyl)ethyl]iminomethyl]phenol
CID 135440453
2-[[(1S,2S)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-methylphenol
CID 136866110
2-[(E)-[[4-(dimethylamino)phenyl]-[(E)-(2-hydroxyphenyl)methylideneamino]methyl]iminomethyl]phenol
CID 177409649
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
2-[[(2R)-2-[(2-hydroxyphenyl)methylideneamino]-2-phenylethyl]iminomethyl]phenol
CID 136694430
2-chloro-6-[[(1S,2S)-2-[(3-chloro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol
CID 139203856
chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol
CID 135405295
potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)
CID 139247890

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt?
The IUPAC name of 2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt (CID 135514483) is 2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt.
What is the SMILES notation for 2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt?
The canonical SMILES for 2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt is Oc1ccc([C@@H](/N=C/c2ccccc2O)[C@@H](/N=C/c2ccccc2O)c2ccc(O)cc2)cc1.[Co].
What is the InChIKey of 2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt?
The InChIKey is WJRJWPNOVZIHII-KTNDRTGNSA-N. The full InChI is InChI=1S/C28H24N2O4.Co/c31-23-13-9-19(10-14-23)27(29-17-21-5-1-3-7-25(21)33)28(20-11-15-24(32)16-12-20)30-18-22-6-2-4-8-26(22)34;/h1-18,27-28,31-34H;/b29-17+,30-18+;/t27-,28+;.
What are the key properties of 2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt?
2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt has a molecular weight of 511.44 g/mol, XLogP of 5.53, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt is sourced from PubChem (CID 135514483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).