7-(2,5-Dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethyl-7-phenylheptanoic acid

HCID 19088074
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1c(C)c(C)c(OC)c(C(CCCCC(C)(C)C(=O)O)c2ccccc2)c1C
InChIKey
CTOQDLGAJUYJTD-UHFFFAOYSA-N
Molecular formula
C26H36O4
Average molar mass
412.6 g/mol
Monoisotopic mass
412.26135963

Names & identifiers

Preferred name
7-(2,5-Dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethyl-7-phenylheptanoic acid
IUPAC
7-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethyl-7-phenylheptanoic acid

Names & synonyms

SCHEMBL9308454CTOQDLGAJUYJTD-UHFFFAOYSA-N7-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethyl-7-phenylheptanoic acid

Database identifiers

PubChem CID
19088074

Properties

Computed structural properties

XLogP
7.1
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
30

Related reactions

3 records
New reaction record

Linked notes

Loading…