Ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
PubChem CID: 6439771
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| Compound Synonyms | 69113-98-0, ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate, 41628-47-1, 3-(4-Hydroxy-3,5-dimethoxy-phenyl)-acrylic acid ethyl ester, ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate, 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, ethyl ester, (2E)-, 3,5-Dimethoxy-4-hydroxycinnamic acid ethyl ester, Ethyl sinapinate, MFCD06204678, sinapic acid ethyl ester, 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, ethyl ester, SCHEMBL2394280, CHEMBL3580736, DMQNLOWHFHPWEA-AATRIKPKSA-N, AKOS030626996, FD67307, CS-0264551, CS-0369123, EN300-93178, G34919, ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate, Z1126750034, ethyl (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoate, ETHYL (2E)-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)PROP-2-ENOATE, Ethyl (2E)-3-[4-hydroxy-3,5-bis(methyloxy)phenyl]-2-propenoate |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | ethyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C13H16O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DMQNLOWHFHPWEA-AATRIKPKSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -2.934 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.76 |
| Compound Name | Ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 252.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 252.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.5840158666666664 |
| Inchi | InChI=1S/C13H16O5/c1-4-18-12(14)6-5-9-7-10(16-2)13(15)11(8-9)17-3/h5-8,15H,4H2,1-3H3/b6-5+ |
| Smiles | CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Descurainia Sophia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all