2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol

C24H30N2O2 — CID 135972595

IUPAC2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(C)cc(C)c2O)c1
InChIInChI=1S/C24H30N2O2/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/h9-14,21-22,27-28H,5-8H2,1-4H3/b25-13+,26-14+/t21-,22-/m1/s1
InChIKeyUQJMVMCSDLZSJA-SOKSOROCSA-N
MW378.52 g/mol
LogP5.18
Rot. Bonds4

About 2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol

2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol (PubChem CID 135972595) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol
PubChem CID135972595
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(C)cc(C)c2O)c1
InChIInChI=1S/C24H30N2O2/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/h9-14,21-22,27-28H,5-8H2,1-4H3/b25-13+,26-14+/t21-,22-/m1/s1
InChIKeyUQJMVMCSDLZSJA-SOKSOROCSA-N
XLogP5.18
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.18
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 2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol?
The IUPAC name of 2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol (CID 135972595) is 2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(C)cc(C)c2O)c1.
What is the InChIKey of 2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol?
The InChIKey is UQJMVMCSDLZSJA-SOKSOROCSA-N. The full InChI is InChI=1S/C24H30N2O2/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/h9-14,21-22,27-28H,5-8H2,1-4H3/b25-13+,26-14+/t21-,22-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol?
2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol has a molecular weight of 378.52 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol is sourced from PubChem (CID 135972595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).