Basic information
- Standard SMILES
CC(C)(C)CC(C)(C)c1cc(O)c(O)c(CN2CCOCC2)c1- InChIKey
UWDDPACBBFZNAE-UHFFFAOYSA-N- Molecular formula
- C19H31NO3
- Average molar mass
- 321.5 g/mol
Names & identifiers
- Preferred name
- 3-Morpholinomethyl-5-t-octylcatechol
- IUPAC
- 3-(morpholin-4-ylmethyl)-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
Names & synonyms
NSC10578SCHEMBL9541245UWDDPACBBFZNAE-UHFFFAOYSA-N3-Morpholinomethyl-5-t-octylcatecholNSC-10578
Database identifiers
- PubChem CID
- 223190
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
Related reactions
7 records
Compound notes
Loading…