2-(4-Hydroxyphenyl)Ethyl 4-Methoxybenzoate
PubChem CID: 14704104
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| Compound Synonyms | 87932-34-1, 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate, p-hydroxyphenethyl anisate, 4-Hydroxyphenethyl 4-methoxybenzoate, MLS000574897, Benzoic acid, 4-methoxy-, 2-(4-hydroxyphenyl)ethyl ester, DTXSID70563192, SMR000156229, 4-methoxybenzoic acid 2-(4-hydroxyphenyl)ethyl ester, 4-Hydroxyphenethylanisate, Hydroxyphenethylanisate, 4-, p-Hydroxy-phenethylanisate, CHEMBL1078244, BDBM69035, DTXCID00513968, CHEBI:116332, cid_14704104, HMS2227C12, HMS3334C21, 4-Hydroxyphenethyl4-methoxybenzoate, HY-N2269, AKOS030530371, 2-(4-Hydroxyphenyl)ethyl-methoxybenzoate, TS-10118, DB-181331, CS-0019598, Q27199214 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P51151, Q16637, P10636, P51450, Q194T2, P00811, O15118, P04637, Q96QE3, P08659, P43220, P38398, Q13148 |
| Iupac Name | 2-(4-hydroxyphenyl)ethyl 4-methoxybenzoate |
| Prediction Hob | 1.0 |
| Target Id | NPT537, NPT93, NPT51, NPT538 |
| Xlogp | 3.6 |
| Molecular Formula | C16H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSMAYKYXHOGICG-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.113 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.576 |
| Compound Name | 2-(4-Hydroxyphenyl)Ethyl 4-Methoxybenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8631599999999997 |
| Inchi | InChI=1S/C16H16O4/c1-19-15-8-4-13(5-9-15)16(18)20-11-10-12-2-6-14(17)7-3-12/h2-9,17H,10-11H2,1H3 |
| Smiles | COC1=CC=C(C=C1)C(=O)OCCC2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Micractina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all