p-tert.-Octylphenyl 4-tert.-butyl-2,6-dimethyl-3-hydroxyphenylacetate

HCID 20345941

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(C(C)(C)C)c(O)c(C)c1CC(=O)Oc1ccc(C(C)(C)CC(C)(C)C)cc1
InChIKey: AEVCANHPXPNUPA-UHFFFAOYSA-N
Molecular formula: C28H40O3
Average molar mass: 424.6 g/mol

Names & identifiers

Preferred name: p-tert.-Octylphenyl 4-tert.-butyl-2,6-dimethyl-3-hydroxyphenylacetate
IUPAC: [4-(2,4,4-trimethylpentan-2-yl)phenyl] 2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetate

Names & synonyms

SCHEMBL11460073AEVCANHPXPNUPA-UHFFFAOYSA-Np-tert.-Octylphenyl 4-tert.-butyl-2,6-dimethyl-3-hydroxyphenylacetate

Database identifiers

PubChem CID: 20345941

Properties

Computed structural properties

XLogP: 8.7
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 586

Related reactions

7 records

New reaction record

HRID 282230As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 616533As reactantuspto-grants-1978_02

HRID 838869As reactantuspto-grants-1978_06

HRID 1238107As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1288499As reactantuspto-grants-1976_10

HRID 1448774As reactantuspto-grants-1980_02

HRID 2049139As reactantuspto-grants-1980_04

Compound notes

Loading…