2-Methoxy-4-Propylphenol
PubChem CID: 17739
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| Compound Synonyms | 2-METHOXY-4-PROPYLPHENOL, Dihydroeugenol, 2785-87-7, 4-Propylguaiacol, Coerulignol, Phenol, 2-methoxy-4-propyl-, Guaiacylpropane, Cerulignol, p-Propylguaiacol, 4-Propyl-2-methoxyphenol, p-n-Propylguaiacol, Eugenol dihydro, (4-Hydroxy-3-methoxyphenyl)propane, Guaiacol, 4-propyl-, 4-Hydroxy-3-methoxypropylbenzene, Propylguaiacol, p-, 4-Propyl-O-methoxyphenol, 5-Propyl-O-hydroxyanisole, 1-Propyl-3-methoxy-4-hydroxybenzene, 1-(4-Hydroxy-3-methoxyphenyl)propane, FEMA No. 3598, NSC 53043, 2-Methoxy-4-(1-propyl)phenol, 2-methoxy-4-propyl-phenol, propylguaiacol, 2-methoxy-4-propyl phenol, EINECS 220-499-0, 2-Methoxy-4-n-propylphenol, 4-Propyl-Guaiacol, Phenol, 4-propyl, 2-methoxy, BRN 1866292, DTXSID2047199, AI3-18037, NSC-53043, A3XE712277, DTXCID0027199, 2-Methoxy-4-propylphenol, 9CI, 4-06-00-05976 (Beilstein Handbook Reference), 2-METHOXY-4-PROPYLPHENOL [FHFI], 2-Methoxy-4-propylphenol (p-propylguaiacol), 4-Propyl-2-methoxyphenol (4-propylguaiacol), dehydroeugenol,, di hydroeugenol, dihydro eugenol, eugenyl dihydro, Oracle, cerulignol,, Coerulignol,, dihydro,, guaiacyl propane, di hydro eugenol, UNII-A3XE712277, 4-propyl guaicol, 4-propyl guaiacol, di hydro eugenol,, 4-Propylguaiacol, , H7Y, para-propyl guaiacol, MFCD00037196, para-n-propyl guaiacol, 5-Propyl-o-hydroxyanisole,, DIHYDROEUGENOL 909, 4-propyl-ortho-methoxyphenol, 5-propyl-ortho-hydroxyanisole, WLN: QR D3 BO1, SCHEMBL267532, CHEMBL3186884, 4-hydroxy-3-methoxypropyl benzene, CHEBI:167417, ALBB-032237, CAA78587, NSC53043, Tox21_302722, (4-hydroxy-3-methoxyphenyl) propane, BBL009806, STK801267, 1-(3-Methoxy-4-hydroxyphenyl)propane, AKOS005608362, 1-(4-hydroxy-3-methoxyphenyl) propane, NCGC00256773-01, 2-Methoxy-4-propylphenol, >=99%, FG, VS-02191, CAS-2785-87-7, DB-067839, CS-0199387, NS00012234, EN300-1267410, A819218, Q27273589, 220-499-0 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCcccccc6)OC)))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Phenols |
| Description | Flavouring ingredient |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P19838 |
| Iupac Name | 2-methoxy-4-propylphenol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.2 |
| Superclass | Benzenoids |
| Subclass | Phenols and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PXIKRTCSSLJURC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4 |
| Logs | -2.623 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.942 |
| Synonyms | (4-Hydroxy-3-methoxyphenyl)propane, 1-(4-Hydroxy-3-methoxyphenyl)propane, 1-Propyl-3-methoxy-4-hydroxybenzene, 2-Methoxy-4-(1-propyl)phenol, 2-Methoxy-4-n-propylphenol, 2-Methoxy-4-propyl-phenol, 2-Methoxy-4-propylphenol (p-propylguaiacol), 2-Methoxy-4-propylphenol, 9CI, 4-Hydroxy-3-methoxypropylbenzene, 4-Propyl-2-methoxyphenol, 4-Propyl-2-methoxyphenol (4-propylguaiacol), 4-Propyl-guaiacol, 4-Propyl-O-methoxyphenol, 4-Propylguaiacol, 5-Propyl-O-hydroxyanisole, Cerulignol, Coerulignol, Dihydroeugenol, Eugenol dihydro, FEMA 3598, Guaiacol, 4-propyl-, Guaiacylpropane, P-n-propylguaiacol, P-propylguaiacol, Phenol, 2-methoxy-4-propyl-, Phenol, 4-propyl, 2-methoxy, Propylguaiacol, Propylguaiacol, p-, 2-Methoxy-4-N-propylphenol, 2-Methoxy-4-propylphenol (P-propylguaiacol), 2-Methoxy-4-propylphenol, 9ci, P-N-Propylguaiacol, P-Propylguaiacol, dihydroeugenol, dihydroeugenol*, guaiacylpropane |
| Substituent Name | Methoxyphenol, Phenylpropane, Methoxybenzene, Phenol ether, Anisole, Alkyl aryl ether, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | cO, cOC |
| Compound Name | 2-Methoxy-4-Propylphenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.642764 |
| Inchi | InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3 |
| Smiles | CCCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Methoxyphenols |
- 1. Outgoing r'ship
FOUND_INto/from Alangium Salviifolium (Plant) Rel Props:Reference:https://doi.org/10.5650/jos.ess14059 - 2. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cajanus Cajan (Plant) Rel Props:Reference:ISBN:9788172362089 - 6. Outgoing r'ship
FOUND_INto/from Carissa Carandas (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698764 - 7. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Styrax Benzoin (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1230 - 9. Outgoing r'ship
FOUND_INto/from Styrax Tonkinensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1230 - 10. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699492