(E)-Benzyl 3-(4-hydroxyphenyl)acrylate
PubChem CID: 10083644
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| Compound Synonyms | Benzyl p-coumarate, 61844-62-0, (E)-Benzyl 3-(4-hydroxyphenyl)acrylate, 2-Propenoic acid, 3-(4-hydroxyphenyl)-, phenylmethyl ester, (2E)-, CHEMBL1095574, benzyl-p-coumarate, Phenylmethyl p-coumarate, benzyl (E)-p-coumarate, Benzyl trans-4-coumarate, Benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate, SCHEMBL4501585, RGZZCZQQPNJCPO-DHZHZOJOSA-N, Benzyl 3-(4-Hydroxyphenyl)Acrylate, BDBM50362850, AKOS040761407 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P15121, O60218, P07451, P00918, P00915, P22748, P35218, Q9Y2D0, P23280, P43166, Q16790, O43570, Q9D6N1, Q9ULX7 |
| Iupac Name | benzyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Prediction Hob | 1.0 |
| Target Id | NPT41, NPT1270, NPT1062, NPT1143, NPT1144, NPT1063, NPT955, NPT948, NPT949, NPT954 |
| Xlogp | 3.3 |
| Molecular Formula | C16H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RGZZCZQQPNJCPO-DHZHZOJOSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.261 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.408 |
| Compound Name | (E)-Benzyl 3-(4-hydroxyphenyl)acrylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 254.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6581354210526316 |
| Inchi | InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+ |
| Smiles | C1=CC=C(C=C1)COC(=O)/C=C/C2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anodendron Affine (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cedrela Salvadorensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Garcinia Cambogia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Hertia Cheirifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Licaria Chrysophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ornithoglossum Viride (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Petasites Laevigatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Rubia Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Schizanthus Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Sphaeranthus Confertifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all