[3-Methoxy-4-(3-methoxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-5-methylphenyl] 2-hydroxy-4-methoxy-6-methylbenzoate
PubChem CID: 163069661
Connections displayed (default: 10).
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| Topological Polar Surface Area | 127.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 817.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-methoxy-4-(3-methoxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-5-methylphenyl] 2-hydroxy-4-methoxy-6-methylbenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C28H28O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CLEHMTXTAFHJOE-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -6.627 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.19 |
| Compound Name | [3-Methoxy-4-(3-methoxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-5-methylphenyl] 2-hydroxy-4-methoxy-6-methylbenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 524.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 524.168 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 524.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.370562715789475 |
| Inchi | InChI=1S/C28H28O10/c1-14-8-17(33-4)11-20(29)23(14)27(31)37-18-10-16(3)25(22(13-18)35-6)28(32)38-19-9-15(2)24(26(30)36-7)21(12-19)34-5/h8-13,29H,1-7H3 |
| Smiles | CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)OC)OC)OC)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Apium Leptophyllum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lagopsis Supina (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ocimum Gratissimum (Plant) Rel Props:Source_db:cmaup_ingredients