General Information of the Compound
| Compound ID |
CP0514548
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| Compound Name |
1-(4-hydroxyphenyl)-3-methylbutan-1-one
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| Structure |
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| Formula |
C11H14O2
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| Molecular Weight |
178.231
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| Canonical SMILES |
CC(C)CC(=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C11H14O2/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
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| InChIKey |
YFUVTWCBNMKSRV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound