UCSF

ZINC01586816

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: 1-(4-Butoxyphenyl)ethanone 1-(4-Butoxyphenyl)ethanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5736-89-0 , [5736-89-0]

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) 3.33 1.89 -7.31 0 2 0 26 192.258 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 172-173?/18mm Alfa-Aesar
Boiling_Point 172-173°/18mm Alfa-Aesar
Melting_Point 25-27? Alfa-Aesar
Melting_Point 25-27° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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