UCSF

ZINC00001130

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 4-Chloro-2-isopropyl-5-methylphenol 4-Chloro-2-isopropyl-5-methylphenol

Find On: PubMed — Wikipedia — Google

CAS Number: 89-68-9

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) 3.95 4.76 -3.1 1 1 0 20 184.666 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 143 / 18 TCI
Boiling_Point 259-263? Alfa-Aesar
Boiling_Point 259-263° Alfa-Aesar
Melting_Point 59-61? Alfa-Aesar
Melting_Point 59-61° Alfa-Aesar
MP 60 - 62 Enamine Building Blocks
MP 60...62 Enamine Building Blocks
MP 62 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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

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