UCSF

ZINC01680788

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Substance Information

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

Popular Name: 2-Methyl-1-phenyl-2-propanol 2-Methyl-1-phenyl-2-propanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100-86-7 , [100-86-7]

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) 2.29 -0.48 -3.4 1 1 0 20 150.221 2 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.56 Bitter DB
Boiling_Point 215? Alfa-Aesar
Boiling_Point 215° Alfa-Aesar
Melting_Point 23-25? Alfa-Aesar
Melting_Point 23-25° Alfa-Aesar
BP 94 / 12 TCI
PUBCHEM_PATENT_ID WO1996040681A1 IBM Patent Data

Activity (Go SEA)

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