chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide

C24H30CrN5O2- — CID 159906793

IUPACchromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide
SMILESCc1cc(C)c(O)c(/C=N/C2CCCC[C@H]2/N=C/c2cc(C)cc(C)c2O)c1.[Cr].[N-]=[N+]=[N-]
InChIInChI=1S/C24H30N2O2.Cr.N3/c1-15-9-17(3)23(27)19(11-15)13-25-21-7-5-6-8-22(21)26-14-20-12-16(2)10-18(4)24(20)28;;1-3-2/h9-14,21-22,27-28H,5-8H2,1-4H3;;/q;;-1/b25-13+,26-14+;;/t21-,22?;;/m1../s1
InChIKeyOYASVAZWIMBSDV-CFLOKMCISA-N
MW472.53 g/mol
LogP6.04
Rot. Bonds4

About chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide

chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide (PubChem CID 159906793) has the molecular formula C24H30CrN5O2- and a molecular weight of 472.53 g/mol. Its IUPAC name is chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide.

Molecular Properties

Compound Namechromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide
PubChem CID159906793
Molecular FormulaC24H30CrN5O2-
Molecular Weight472.53 g/mol
Exact Mass472.18
IUPAC Namechromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide
SMILESCc1cc(C)c(O)c(/C=N/C2CCCC[C@H]2/N=C/c2cc(C)cc(C)c2O)c1.[Cr].[N-]=[N+]=[N-]
InChIInChI=1S/C24H30N2O2.Cr.N3/c1-15-9-17(3)23(27)19(11-15)13-25-21-7-5-6-8-22(21)26-14-20-12-16(2)10-18(4)24(20)28;;1-3-2/h9-14,21-22,27-28H,5-8H2,1-4H3;;/q;;-1/b25-13+,26-14+;;/t21-,22?;;/m1../s1
InChIKeyOYASVAZWIMBSDV-CFLOKMCISA-N
XLogP6.04
TPSA123.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide?
The IUPAC name of chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide (CID 159906793) is chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide.
What is the SMILES notation for chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide?
The canonical SMILES for chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide is Cc1cc(C)c(O)c(/C=N/C2CCCC[C@H]2/N=C/c2cc(C)cc(C)c2O)c1.[Cr].[N-]=[N+]=[N-].
What is the InChIKey of chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide?
The InChIKey is OYASVAZWIMBSDV-CFLOKMCISA-N. The full InChI is InChI=1S/C24H30N2O2.Cr.N3/c1-15-9-17(3)23(27)19(11-15)13-25-21-7-5-6-8-22(21)26-14-20-12-16(2)10-18(4)24(20)28;;1-3-2/h9-14,21-22,27-28H,5-8H2,1-4H3;;/q;;-1/b25-13+,26-14+;;/t21-,22?;;/m1../s1.
What are the key properties of chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide?
chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide has a molecular weight of 472.53 g/mol, XLogP of 6.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide is sourced from PubChem (CID 159906793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).