4-Methoxy-1-naphthol
PubChem CID: 66542
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| Compound Synonyms | 4-Methoxy-1-naphthol, 4-methoxynaphthalen-1-ol, 84-85-5, 1-Hydroxy-4-methoxynaphthalene, walrycin A, 1-Naphthalenol, 4-methoxy-, 4-methoxy-1-naphthalenol, 4-methoxy-naphthalen-1-ol, 7CC5CL28DK, Ursol Grounding Blue BL, EINECS 201-566-3, MFCD00003976, 1-Naphthol, 4-methoxy-, 4-Methoxy-.alpha.-naphthol, DTXSID8058908, 1,4-Naphthohydroquinone monomethyl ether, C.I. 76620, 4-methoxynaphthol, Quino Power MNT, Ursol Grounding Blue BL, Walrycin A, , 4-Methoxy-1-naphthalenol, 1-Hydroxy-4-methoxynaphthalene, , 4-Methoxy-1-naphthol, 4-Methoxy-a-naphthol, C.I. 76620, ET 2111, QS 30, , 4-methoxynaphth-1-ol, 4-Methoxy-alpha-naphthol, UNII-7CC5CL28DK, SCHEMBL217255, 4-methoxy-1-hydroxy-naphthalene, DTXCID6048383, CHEBI:191503, 4-Methoxy-1-naphthol, >=97%, AKOS015856458, FM70891, 1,4-dihydroxynaphthalene monomethyl ether, DS-11800, SY045974, 1,4-Dihydroxy naphthalene monomethyl ether, DB-019216, CS-0043743, M0854, NS00038691 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Description | Constituent of the roots of Asperula odorata (sweet woodruff). 4-Methoxy-1-naphthol is found in tea, herbs and spices, and beverages. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxynaphthalen-1-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Is Pains | False |
| Molecular Formula | C11H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BOTGCZBEERTTDQ-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-Hydroxy-4-methoxynaphthalene, 1-Naphthalenol, 4-methoxy-, 1-Naphthol, 4-methoxy-, 4-Methoxy-1-naphthalenol, 4-Methoxy-1-naphthol |
| Compound Name | 4-Methoxy-1-naphthol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.068 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 174.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 174.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8281645692307693 |
| Inchi | InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3 |
| Smiles | COC1=CC=C(C2=CC=CC=C21)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alangium Platanifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Asperula Odora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Croton Penduliflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Litsea Konishii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lychnophora Columnaris (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Populus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Vepris Louisii (Plant) Rel Props:Source_db:cmaup_ingredients