UCSF

ZINC01591825

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: 1-(tert-Butyl)-4-methoxybenzene 1-(tert-Butyl)-4-methoxybenzene

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CAS Numbers: 5396-38-3 , [5396-38-3]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.70 6.11 -3.01 0 1 0 9 164.248 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 18? Alfa-Aesar
Melting_Point 18° Alfa-Aesar
Boiling_Point 222? Alfa-Aesar
Boiling_Point 222° Alfa-Aesar
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.