UCSF

ZINC02522771

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: 3-METHOXY-5-METHYLPHENOL 3-METHOXY-5-METHYLPHENOL

Find On: PubMed — Wikipedia — Google

CAS Number: 3209-13-0

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) 1.89 1.61 -4.92 1 2 0 29 138.166 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 60-66? Alfa-Aesar
Melting_Point 60-66° Alfa-Aesar
MP 63 TCI
Melting_Point 74-76? Alfa-Aesar
Melting_Point 74-76° Alfa-Aesar
Purity 95% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

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