3-[[3-(Hexadecyloxy)-2-methoxypropoxy]methyl]benzenemethanol

HCID 19939554
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCCCCCOCC(COCc1cccc(CO)c1)OC
InChIKey
HAVAQFRBKQQQKI-UHFFFAOYSA-N
Molecular formula
C28H50O4
Average molar mass
450.7 g/mol

Names & identifiers

Preferred name
3-[[3-(Hexadecyloxy)-2-methoxypropoxy]methyl]benzenemethanol
IUPAC
[3-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methanol

Names & synonyms

SCHEMBL9163151HAVAQFRBKQQQKI-UHFFFAOYSA-N3-[[3-(hexadecyloxy)-2methoxypropoxy]methyl]benzenemethanol3-[[3-(Hexadecyloxy)-2-methoxypropoxy]methyl]benzenemethanol

Database identifiers

PubChem CID
19939554

Properties

Computed structural properties

XLogP
8.2
Topological polar surface area
47.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
23
Heavy atoms
32

Related reactions

11 records
New reaction record

Compound notes

Loading…