4-Cyclohexyl-2-[[(5-cyclohexyl-2-hydroxyphenyl)methyl-(2-hydroxyethyl)amino]methyl]phenol

HCID 224960

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Basic information

CAS: 5430-71-7
Standard SMILES: OCCN(Cc1cc(C2CCCCC2)ccc1O)Cc1cc(C2CCCCC2)ccc1O
InChIKey: FJENRHGKJVLIIK-UHFFFAOYSA-N
Molecular formula: C28H39NO3
Average molar mass: 437.6 g/mol
Monoisotopic mass: 437.29299411

Names & identifiers

Preferred name: 4-Cyclohexyl-2-[[(5-cyclohexyl-2-hydroxyphenyl)methyl-(2-hydroxyethyl)amino]methyl]phenol
IUPAC: 4-cyclohexyl-2-[[(5-cyclohexyl-2-hydroxyphenyl)methyl-(2-hydroxyethyl)amino]methyl]phenol

Names & synonyms

5430-71-7NSC13851DTXSID60969361NSC-13851DS-0053182,2'-{[(2-Hydroxyethyl)azanediyl]bis(methylene)}bis(4-cyclohexylphenol)4-Cyclohexyl-2-[[(5-cyclohexyl-2-hydroxy-phenyl)methyl-(2-hydroxyethyl)amino]methyl]phenol

Database identifiers

CAS: 5430-71-7
PubChem CID: 224960
DTXSID: DTXSID60969361

Properties

Computed structural properties

XLogP: 6.9
Topological polar surface area: 63.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 487

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