trivial
4-HTMPIPO
systemic
4-hydroxy-3,3,4-trimethyl-1-(1-pentyl-1H-indol-3-yl)pentan-1-one
4-hydroxy-3,3,4-trimethyl-1-(1-pentyl-1'H'-indol-3-yl)-1-pentanone
4-HTMPIPO
systemic
4-hydroxy-3,3,4-trimethyl-1-(1-pentyl-1H-indol-3-yl)pentan-1-one
4-hydroxy-3,3,4-trimethyl-1-(1-pentyl-1'H'-indol-3-yl)-1-pentanone
Identifiers
InChIKey: GWHGUYKAGQLPTQ-UHFFFAOYSA-N
Formula: C21H31NO2
CAS Registry numbers:
1445751-38-1
Descriptors
Bioavailability-related
Molecular weight: 329.24 DaPartition coefficient: 5.20
H bond donors: 1
H bond acceptors: 3
Rotatable bonds: 8
Molar refractivity: 100.49 J mol-1 K-1
Polar surface area: 42.23 Å2
Generic
Stereocenters: 0Heteroatoms: 3
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0
Ring-related
Rings: 2Heterocycles: 1
Aromatic rings: 2
Aromatic carbocycles: 1
Aromatic heterocycles: 1
Aliphatic rings: 0
Aliphatic carbocycles: 0
Aliphatic heterocycles: 0