4-(Ethoxymethyl)phenol
PubChem CID: 93781
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| Compound Synonyms | 4-(ethoxymethyl)phenol, 57726-26-8, alpha-Ethoxy-p-cresol, 4-Ethoxymethylphenol, 4-Hydroxybenzyl ethyl ether, p-Hydroxybenzyl ethyl ether, 4-(Ethoxymethyl)-Phenol, EINECS 260-918-4, DTXSID20206426, Phenol, 4-(ethoxymethyl)-, MFCD00464284, 4Em CPD, SCHEMBL62426, CHEMBL3911844, DTXCID20128917, CHEBI:179248, AKOS016006285, DS-2520, DB-339856, NS00022410, 260-918-4 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Constituent of Vanilla fragrans (vanilla) |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 95.7 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 4-(ethoxymethyl)phenol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 1.2 |
| Superclass | Benzenoids |
| Subclass | Benzylethers |
| Molecular Formula | C9H12O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UWQZVUQKBWZNLN-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.32 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.711 |
| Synonyms | 4-(Ethoxymethyl)-phenol, 4-(Ethoxymethyl)phenol, 4-ethoxymethylphenol, 4-Hydroxybenzyl ethyl ether, Alpha-ethoxy-p-cresol, P-hydroxybenzyl ethyl ether, Phenol, 4-(ethoxymethyl)-, 4-Ethoxymethylphenol, alpha-Ethoxy-P-cresol, P-Hydroxybenzyl ethyl ether, 4Em CPD |
| Compound Name | 4-(Ethoxymethyl)phenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.084 |
| Formal Charge | 0.0 |
| 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 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -2.123232963636364 |
| Inchi | InChI=1S/C9H12O2/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,10H,2,7H2,1H3 |
| Smiles | CCOCC1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzylethers |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Formosana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all