2,4-Bis(1,1-dimethylethyl)-6-((4-methoxyphenyl)methyl)phenol

HCID 100577CAS 71712-03-3

Basic information

Standard SMILES
COc1ccc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1
InChIKey
DLDDIHRRFIDSOW-UHFFFAOYSA-N
Molecular formula
C22H30O2
Average molar mass
326.5 g/mol
Monoisotopic mass
326.2245802

Names & identifiers

Preferred name
2,4-Bis(1,1-dimethylethyl)-6-((4-methoxyphenyl)methyl)phenol
IUPAC
2,4-ditert-butyl-6-[(4-methoxyphenyl)methyl]phenol

Names & synonyms

71712-03-3J 26442,4-Bis(1,1-dimethylethyl)-6-((4-methoxyphenyl)methyl)phenolJ2644J-26442,4-bis(1,1-dimethylethyl)-6-[(4-methoxyphenyl)methyl]phenolRefChem:4430592,4-di-tert-Butyl-6-(4-methoxybenzyl)phenol2,4-ditert-butyl-6-[(4-methoxyphenyl)methyl]phenolAI3-70691Phenol, 2,4-bis(1,1-dimethylethyl)-6-((4-methoxyphenyl)methyl)-2,4-bis(1,1-dimethylethyl)-6-(4-methoxyphenylmethyl)phenol
Show more names
BRN 19995432,4-bis(tert-butyl)-6-[(4-methoxyphenyl)methyl]phenolPhenol, 2,4-bis(1,1-dimethylethyl)-6-[(4-methoxyphenyl)methyl]-SCHEMBL374687orb1696886CHEMBL1795595SCHEMBL30359533DLDDIHRRFIDSOW-UHFFFAOYSA-

Database identifiers

CAS
71712-03-3
PubChem CID
100577
DTXSID
DTXSID60221931
ChEMBL
CHEMBL1795595
EC Number
635-338-3
Nikkaji
J236.634G

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
24

Related reactions

6 records

Linked notes

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