4-Ethoxybenzyl alcohol
PubChem CID: 80345
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| Compound Synonyms | 4-Ethoxybenzyl alcohol, (4-Ethoxyphenyl)methanol, 6214-44-4, p-Ethoxybenzyl alcohol, 4-Ethoxybenzylalcohol, Benzenemethanol, 4-ethoxy-, 4-Ethoxybenzenemethanol, EINECS 228-283-8, MFCD00004655, AI3-05517, DTXSID80211197, NSC 406713, NSC-406713, Benzyl alcohol, p-ethoxy-, (4-Ethoxyphenyl)methanol #, [4-(ethyloxy)phenyl]methanol, SCHEMBL131727, CHEMBL1650240, DTXCID80133688, 4633ZFA6U4, NSC406713, STL254143, AKOS000249230, FE70748, PS-5198, SY048263, DS-018552, CS-0151465, E0492, NS00034937, EN300-49131, 228-283-8 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 95.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-ethoxyphenyl)methanol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Is Pains | False |
| Molecular Formula | C9H12O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UKFLLQIRBABMKF-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 4-Ethoxybenzyl alcohol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.084 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 152.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 152.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9153329636363632 |
| Inchi | InChI=1S/C9H12O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6,10H,2,7H2,1H3 |
| Smiles | CCOC1=CC=C(C=C1)CO |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients