4-(Methoxymethyl)phenol
PubChem CID: 79310
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| Compound Synonyms | 4-(Methoxymethyl)phenol, 5355-17-9, alpha-Methoxy-p-cresol, Phenol, 4-(methoxymethyl)-, 4-Methoxymethylphenol, p-(methoxymethyl)phenol, 4-Hydroxybenzyl methyl ether, p-hydroxybenzyl methyl ether, 17CJ5983VN, EINECS 226-334-9, MFCD00020186, DTXSID2074746, CHEBI:133885, P-CRESOL, .ALPHA.-METHOXY, 4-Methoxymethyl-phenol, UNII-17CJ5983VN, 4-(methoxymethyl)-phenol, SCHEMBL63724, P-CRESOL, ALPHA-METHOXY, CHEMBL3929528, DTXCID7041463, .ALPHA.-METHOXY-P-CRESOL, AKOS006273184, DS-14089, SY026430, DB-071699, NS00022322, EN300-1851052, Q27251899, ETHER,(4-HYDROXYBENZYL),METHYL (TOLUENE,4-HYDROXY,ALPHA-METHOXY), ETHER,(4-HYDROXYBENZYL),METHYL (TOLUENE,4-HYDROXY,ALPHA-METHOXY) |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 85.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(methoxymethyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C8H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AHXXIALEMINDAW-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -0.997 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.311 |
| Compound Name | 4-(Methoxymethyl)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 138.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7394291999999996 |
| Inchi | InChI=1S/C8H10O2/c1-10-6-7-2-4-8(9)5-3-7/h2-5,9H,6H2,1H3 |
| Smiles | COCC1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gymnadenia Conopsea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Sicana Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients