cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium

C24H34NO2+ — CID 7319529

IUPACcyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium
SMILESCc1cc(C[NH+](Cc2cc(C)c(O)c(C)c2)C2CCCCC2)cc(C)c1O
InChIInChI=1S/C24H33NO2/c1-16-10-20(11-17(2)23(16)26)14-25(22-8-6-5-7-9-22)15-21-12-18(3)24(27)19(4)13-21/h10-13,22,26-27H,5-9,14-15H2,1-4H3/p+1
InChIKeyDFKXSUNMXDTGDX-UHFFFAOYSA-O
MW368.54 g/mol
LogP4.25
Rot. Bonds5

About cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium

cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium (PubChem CID 7319529) has the molecular formula C24H34NO2+ and a molecular weight of 368.54 g/mol. Its IUPAC name is cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium.

Molecular Properties

Compound Namecyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium
PubChem CID7319529
Molecular FormulaC24H34NO2+
Molecular Weight368.54 g/mol
Exact Mass368.26
IUPAC Namecyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium
SMILESCc1cc(C[NH+](Cc2cc(C)c(O)c(C)c2)C2CCCCC2)cc(C)c1O
InChIInChI=1S/C24H33NO2/c1-16-10-20(11-17(2)23(16)26)14-25(22-8-6-5-7-9-22)15-21-12-18(3)24(27)19(4)13-21/h10-13,22,26-27H,5-9,14-15H2,1-4H3/p+1
InChIKeyDFKXSUNMXDTGDX-UHFFFAOYSA-O
XLogP4.25
TPSA44.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium?
The IUPAC name of cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium (CID 7319529) is cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium.
What is the SMILES notation for cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium?
The canonical SMILES for cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium is Cc1cc(C[NH+](Cc2cc(C)c(O)c(C)c2)C2CCCCC2)cc(C)c1O.
What is the InChIKey of cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium?
The InChIKey is DFKXSUNMXDTGDX-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H33NO2/c1-16-10-20(11-17(2)23(16)26)14-25(22-8-6-5-7-9-22)15-21-12-18(3)24(27)19(4)13-21/h10-13,22,26-27H,5-9,14-15H2,1-4H3/p+1.
What are the key properties of cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium?
cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium has a molecular weight of 368.54 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium is sourced from PubChem (CID 7319529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).