General Information of the Compound
| Compound ID |
CP0063047
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| Compound Name |
(3,5-dimethyl-4-(4-hydroxy-3-isopropylbenzyl)phenoxy)methylphosphonicacid
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| Structure |
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| Formula |
C19H25O5P
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| Molecular Weight |
364.378
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| Canonical SMILES |
CC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
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| InChI |
InChI=1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)
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| InChIKey |
SVXLLCKJKRYATC-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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