[4-(3-Hydroxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-3-methoxy-5-methylphenyl] 2-hydroxy-4-methoxy-6-methylbenzoate
PubChem CID: 163066241
Connections displayed (default: 10).
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| Topological Polar Surface Area | 138.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 802.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [4-(3-hydroxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-3-methoxy-5-methylphenyl] 2-hydroxy-4-methoxy-6-methylbenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C27H26O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KAQZQIDWGNABJT-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -5.672 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.112 |
| Compound Name | [4-(3-Hydroxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-3-methoxy-5-methylphenyl] 2-hydroxy-4-methoxy-6-methylbenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 510.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 510.153 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 510.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.497669000000001 |
| Inchi | InChI=1S/C27H26O10/c1-13-7-16(33-4)10-19(28)23(13)26(31)37-18-9-15(3)24(21(12-18)34-5)27(32)36-17-8-14(2)22(20(29)11-17)25(30)35-6/h7-12,28-29H,1-6H3 |
| Smiles | CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)OC)O)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