UCSF

ZINC00403494

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: 2,6-Dimethoxy-4-methylphenol 2,6-Dimethoxy-4-methylphenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5/7/6638 12:00:00 AM , 6638-05-7 , 6705-03-9 , [6638-05-7]

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) 1.74 2.17 -7.87 1 3 0 39 168.192 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 144-146?/12mm Alfa-Aesar
Boiling_Point 144-146°/12mm Alfa-Aesar
BP 150 / 15 TCI
Melting_Point 36-42? Alfa-Aesar
Melting_Point 36-42° Alfa-Aesar
MP 37 - 42 Enamine Building Blocks
MP 37...42 Enamine Building Blocks
MP 42 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 99% Fluorochem

Activity (Go SEA)

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