4-{1-Ethyl-1-[4-(2-ethyl-2-hydroxy-butoxy)-3-methyl-phenyl]-propyl}-2-methyl-benzoic acid

HCID 57849335
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Basic information

Standard SMILES
CCC(O)(CC)COc1ccc(C(CC)(CC)c2ccc(C(=O)O)c(C)c2)cc1C
InChIKey
BKOVOUIHVBBBQO-UHFFFAOYSA-N
Molecular formula
C26H36O4
Average molar mass
412.6 g/mol

Names & identifiers

Preferred name
4-{1-Ethyl-1-[4-(2-ethyl-2-hydroxy-butoxy)-3-methyl-phenyl]-propyl}-2-methyl-benzoic acid
IUPAC
4-[3-[4-(2-ethyl-2-hydroxybutoxy)-3-methylphenyl]pentan-3-yl]-2-methylbenzoic acid

Names & synonyms

SCHEMBL4507917BKOVOUIHVBBBQO-UHFFFAOYSA-N4-{1-ethyl-1-[4-(2-ethyl-2-hydroxy-butoxy)-3-methyl-phenyl]-propyl}-2-methyl-benzoic acid

Database identifiers

PubChem CID
57849335

Properties

Computed structural properties

XLogP
7
Topological polar surface area
66.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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