2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol

C24H24F6N2O2 — CID 137129321

IUPAC2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(/C=N/C2CCCC(/N=C/c3cc(C(F)(F)F)cc(C)c3O)C2)c1O
InChIInChI=1S/C24H24F6N2O2/c1-13-6-17(23(25,26)27)8-15(21(13)33)11-31-19-4-3-5-20(10-19)32-12-16-9-18(24(28,29)30)7-14(2)22(16)34/h6-9,11-12,19-20,33-34H,3-5,10H2,1-2H3/b31-11+,32-12+
InChIKeyXDYDBPIZMUHCNC-PHBQLMGTSA-N
MW486.46 g/mol
LogP6.60
Rot. Bonds4

About 2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol

2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol (PubChem CID 137129321) has the molecular formula C24H24F6N2O2 and a molecular weight of 486.46 g/mol. Its IUPAC name is 2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol
PubChem CID137129321
Molecular FormulaC24H24F6N2O2
Molecular Weight486.46 g/mol
Exact Mass486.17
IUPAC Name2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(/C=N/C2CCCC(/N=C/c3cc(C(F)(F)F)cc(C)c3O)C2)c1O
InChIInChI=1S/C24H24F6N2O2/c1-13-6-17(23(25,26)27)8-15(21(13)33)11-31-19-4-3-5-20(10-19)32-12-16-9-18(24(28,29)30)7-14(2)22(16)34/h6-9,11-12,19-20,33-34H,3-5,10H2,1-2H3/b31-11+,32-12+
InChIKeyXDYDBPIZMUHCNC-PHBQLMGTSA-N
XLogP6.60
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.46
LogP ≤ 56.60
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-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol?
The IUPAC name of 2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol (CID 137129321) is 2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol is Cc1cc(C(F)(F)F)cc(/C=N/C2CCCC(/N=C/c3cc(C(F)(F)F)cc(C)c3O)C2)c1O.
What is the InChIKey of 2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol?
The InChIKey is XDYDBPIZMUHCNC-PHBQLMGTSA-N. The full InChI is InChI=1S/C24H24F6N2O2/c1-13-6-17(23(25,26)27)8-15(21(13)33)11-31-19-4-3-5-20(10-19)32-12-16-9-18(24(28,29)30)7-14(2)22(16)34/h6-9,11-12,19-20,33-34H,3-5,10H2,1-2H3/b31-11+,32-12+.
What are the key properties of 2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol?
2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol has a molecular weight of 486.46 g/mol, XLogP of 6.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-(trifluoromethyl)phenol is sourced from PubChem (CID 137129321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).