UCSF

ZINC02039787

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 Yes

Popular Name: 2-Methoxy-5-methylphenol 2-Methoxy-5-methylphenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1195-09-1 , [1195-09-1]

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) 1.73 2.3 -5.62 1 2 0 29 138.166 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 115-117?/20mm Alfa-Aesar
Boiling_Point 115-117°/20mm Alfa-Aesar
Melting_Point 35-39? Alfa-Aesar
Melting_Point 35-39° Alfa-Aesar
MP 37-39° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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