General Information of the Compound
| Compound ID |
CP0016633
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| Compound Name |
4-alpha-Cumylphenol
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| Structure |
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| Formula |
C15H16O
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| Molecular Weight |
212.292
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| Canonical SMILES |
CC(C)(c1ccccc1)c1ccc(O)cc1
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| InChI |
InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
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| InChIKey |
QBDSZLJBMIMQRS-UHFFFAOYSA-N
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| CAS |
599-64-4
28261-59-8
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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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta