UCSF

ZINC01691011

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: 4-ISOPROPYL-3-METHYLPHENOL 4-ISOPROPYL-3-METHYLPHENOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3228-02-2 , [3228-02-2]

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) 2.87 0.32 -3.52 1 1 0 20 150.221 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 111 - 114 Enamine Building Blocks
MP 111...114 Enamine Building Blocks
MP 112 TCI
BP 246 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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