Mequinol
PubChem CID: 9015
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| Compound Synonyms | 4-Methoxyphenol, Mequinol, 150-76-5, 4-Hydroxyanisole, p-Hydroxyanisole, p-Methoxyphenol, Phenol, 4-methoxy-, HYDROQUINONE MONOMETHYL ETHER, MEHQ, Leucobasal, Leucodine B, Mechinolum, P-Guaiacol, Novo-Dermoquinona, Hydroquinone methyl ether, HQMME, p-Hydroxymethoxybenzene, para-methoxyphenol, 1-Hydroxy-4-methoxybenzene, Monomethyl ether hydroquinone, PMF (antioxidant), Phenol, p-methoxy-, USAF AN-7, 4-Methoxy-phenol, Mechinolo, Mequinolum, Mono methyl ether hydroquinone, NSC 4960, MFCD00002332, CCRIS 5531, BMS 181158, BMS-181158, DTXSID4020828, HSDB 4258, UNII-6HT8U7K3AM, NSC-4960, EINECS 205-769-8, 6HT8U7K3AM, AI3-00841, NSC4960, DTXCID60828, SOLAGE COMPONENT MEQUINOL, CHEBI:69441, EC 205-769-8, Mequinol (INN), NCGC00091390-02, MEQUINOL [INN], MEQUINOL (MART.), MEQUINOL [MART.], Mechinolo [DCIT], Mequinolum [INN-Latin], CAS-150-76-5, Mequinol [USAN:INN:DCF], 4methoxyphenol, paramethoxyphenol, p- methoxyphenol, p-methoxy phenol, p-methoxy-phenol, 4-methoxy phenol, Eastman HQMME, para-hydroxyanisole, 4-(methoxy)phenol, 4KS, O-methylhydroquinone, para- hydroxyanisole, Mequinol (Standard), 4-(methyloxy)phenol, HQME, hydroquinone methylether, MEQUINOL [HSDB], MEQUINOL [USAN], Mequinol (USAN/INN), Mequinol, INN, USAN, MEQUINOL [VANDF], PHENOL,4-METHOXY, hydroxyquinone methyl ether, hydroquinone monomethylether, CHEMBL544, MEQUINOL [WHO-DD], NCIMech_000709, WLN: QR DO1, SCHEMBL21009, hydroquinone mono methyl ether, MLS002454409, MEQUINOL [ORANGE BOOK], GTPL6827, SCHEMBL12015251, BDBM36295, D11AX06, HMS2270F04, HMS3264P13, HMS3652O08, Pharmakon1600-00212037, MEQUINOL COMPONENT OF SOLAGE, 4-Methoxyphenol, analytical standard, Tox21_111125, Tox21_202367, Tox21_302876, CCG-35855, HY-30270R, NSC760357, STL199145, AKOS000119852, Tox21_111125_1, AC-3292, CS-W019963, DB09516, FH24308, NSC-760357, PS-3375, SB40551, 4-Methoxyphenol, ReagentPlus(R), 99%, NCGC00091390-01, NCGC00091390-03, NCGC00091390-04, NCGC00256552-01, NCGC00259916-01, BP-23487, HQMME, HYDROXYQUINONE METHYL ETHER, HY-30270, NCI60_004190, SMR001252253, DB-003965, M0123, NS00010661, S4077, SW219760-1, 4-Methoxyphenol, purum, >=98.0% (HPLC), EN300-19649, 4-Methoxyphenol, SAJ first grade, >=97.0%, D04926, P17835, SBI-0053624.0001, AB00641905_06, AB00641905_07, SR-01000865565, Q2862455, SR-01000865565-2, BRD-K45216060-001-06-8, BRD-K45216060-001-09-2, BRD-K45216060-001-10-0, BRD-K45216060-001-11-8, F9995-1658, Z104474598, InChI=1/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H, 2,5-Dihydroxytoluene, 2-Methyl-1,4-benzenediol, Toluhydroquinone, THQ, 205-769-8, 4-Hydroxyanisole, Hydroquinone monomethyl ether, MEHQ, O-Methylhydroquinone, p-Hydroxyanisole, Monomethyl ether hydroquinone, 4-Methoxyphenol, p-Methoxyphenol, 1-Hydroxy-4-methoxybenzene, MEHQ, Mono methyl ether hydroquinone |
|---|---|
| Ghose Rule | False |
| 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 | COcccccc6))O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Phenols |
| Description | Mequinol is a drug used in combination with the drug tretinoin in the treatment of liver spots. Mequinol used alone and in higher doses is used as a topical drug for medical depigmentation. Mequinol is found in sweet marjoram and anise. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 75.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02769, n.a., O42713, Q9Y4X1, P51449, Q9NUW8, O75874, P0DTD1, Q16236, P04792, Q03181 |
| Iupac Name | 4-methoxyphenol |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.3 |
| Superclass | Benzenoids |
| Subclass | Phenols and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H8O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | NWVVVBRKAWDGAB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 1-Hydroxy-4-methoxybenzene, 4-Hydroxyanisole, 4-Methoxy-phenol, 4-Methoxyphenol, Hydroxyanisole, Hydroxyquinone methyl ether, Menthyl anthranilic acid, Mequinol, INN, USAN, Mono methyl ether hydroquinone, Monomethyl ether hydroquinone, P-hydroxymethoxybenzene, P-methoxyphenol, Para-methoxyphenol, 4-Hydroxyanisole, potassium salt, 4-Hydroxyanisole, sodium salt, Leucodinine b, Hydroquinone methyl ether, Hydroquinone monomethyl ether, p-Hydroxyanisole, Menthyl anthranilate, novo-Dermoquinona, Leucodine b, BMS-181158P-Guaiacol, 4HA, Leucobasal, Mechinolum, Mequinol, inn, usan, mono Methyl ether hydroquinone, P-Hydroxymethoxybenzene, P-Methoxyphenol, HQMME, hydroxyquinone methyl ether, HQMME, hydroxyquinone methyl ether, 4-methoxyphenol, p-guaiacol |
| Substituent Name | Methoxyphenol, Methoxybenzene, Phenol ether, Anisole, Alkyl aryl ether, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | cO, cOC |
| Compound Name | Mequinol |
| Kingdom | Organic compounds |
| Exact Mass | 124.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 124.14 |
| 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 |
| Inchi | InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3 |
| Smiles | COC1=CC=C(C=C1)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Methoxyphenols |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1872 - 2. Outgoing r'ship
FOUND_INto/from Cordyceps Sinensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Gymnema Sylvestre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700451 - 4. Outgoing r'ship
FOUND_INto/from Handroanthus Impetiginosus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1345 - 5. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Pimpinella Anisum (Plant) Rel Props:Source_db:fooddb_chem_all