1,4-Dimethoxybenzene
PubChem CID: 9016
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| Compound Synonyms | 1,4-Dimethoxybenzene, 150-78-7, p-Dimethoxybenzene, p-Methoxyanisole, Benzene, 1,4-dimethoxy-, HYDROQUINONE DIMETHYL ETHER, Benzene, p-dimethoxy-, Quinol dimethyl ether, Dimethylhydroquinone ether, 4-Methoxyanisole, Dimethyl ether hydroquinone, 1,4-Dimethoxybenzol, USAF AN-9, 1,4-dimethoxy-benzene, Dimethyl hydroquinone, Anisole, p-methoxy-, Methyl p-methoxyphenyl ether, 1,4-dimethoxy benzene, Dimethylether hydrochinonu, USAF uctl-1791, Dimethylhydroquinone, Hydroquinone, dimethyl ether, Dimethylolbenzimidazolon, FEMA No. 2386, CCRIS 5920, HSDB 4259, NSC 7483, p-Methoxy-Anisole, EINECS 205-771-9, UNII-24WC6T6X0G, MFCD00008401, p-Dimethoxy-Benzene, 4-Methoxyphenol, methyl ether, para-dimethoxybenzene, DTXSID0022014, AI3-24139, NSC-7483, para-dimethyl hydroquinone, Methyl 4-methoxyphenyl ether, BENZENE,1,4-DIMETHOXY, 24WC6T6X0G, DTXCID102014, 1,3-Bis(hydroxymethyl)-2-benzimidazolinone, P-DIMETHOXYBENZENE [FHFI], EC 205-771-9, HYDROQUINONE DIMETHYL ETHER [HSDB], 1, 3-Bis(hydroxymethyl)-2-benzimidazolinone, Dimethylolbenzimidazolon (german), Dimethylolbenzimidazolon [German], CAS-150-78-7, Dimethylether hydrochinonu [Czech], pMethoxyanisole, pDimethoxybenzene, Anisole, pmethoxy, p-dimethoxy benzene, 1,4-Dimethoxybenzol, 4-Methoxyanisole, DMB, Hydroquinone Dimethyl Ether, Methyl 4-Methoxyphenyl Ether, 1,4Dimethoxybenzol, Benzene, pdimethoxy, 1,4dimethoxybenzene, 14-Dimethoxybenzene, Hydroquinone dimethyl, PDMXE, 1,4-di-methoxybenzene, Benzene, 1,4dimethoxy, p-Xylene dimethyl ether, hydroquinone dimethylether, Benzene, 1,4-dimetoxy-, Methyl pmethoxyphenyl ether, 1-Methoxy-4-methoxybenzene, SCHEMBL8489, WLN: 1OR DO1, MLS002454408, CHEMBL1668604, SCHEMBL12015220, BDBM36302, 1,4-Dimethoxybenzene (Standard), NSC7483, CHEBI:179261, HMS2270C23, 1,4-Dimethoxybenzene, 99%, FG, HY-W015780R, STR02500, WLN: T56 BNVNJ B1Q D1Q, P-HYDROQUINONE DIMETHYL ETHER, Tox21_201333, Tox21_302782, STK065405, AKOS000119956, CS-W016496, HY-W015780, NCGC00091220-01, NCGC00091220-02, NCGC00091220-03, NCGC00256564-01, NCGC00258885-01, 1,4-Dimethoxybenzene, analytical standard, PD158325, SMR001252207, 2-Benzimidazolinone,3-bis(hydroxymethyl)-, DB-013768, D0629, NS00002609, 1,4-Dimethoxybenzene, ReagentPlus(R), 99%, EN300-16130, D70298, 1,4-Dimethoxybenzene Hydroquinone dimethyl ether, Q4545697, 1,4-Dimethoxybenzene, Vetec(TM) reagent grade, 98%, Z53833835, F1908-0181, 205-771-9, 215-317-1, 42500-66-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COcccccc6))OC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Flavouring ingredient. 1,4-Dimethoxybenzene is found in peppermint. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxybenzenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 73.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00915, P00918, Q16790, O43570, P83916, Q9UNA4, Q16236, Q9ULX7, P43166, Q8WZA2 |
| Iupac Name | 1,4-dimethoxybenzene |
| Prediction Hob | 0.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT947, NPT233, NPT948, NPT949, NPT954, NPT955 |
| Xlogp | 2.0 |
| Superclass | Benzenoids |
| Subclass | Methoxybenzenes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OHBQPCCCRFSCAX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.25 |
| Logs | -2.365 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 1.901 |
| Synonyms | 1, 3-Bis(hydroxymethyl)-2-benzimidazolinone, 1,3-Bis(hydroxymethyl)-2-benzimidazolinone, 1,4-Dimethoxy benzene, 1,4-Dimethoxy-benzene, 1,4-Dimethoxybenzol, 2-Benzimidazolinone, 1,3-bis(hydroxymethyl)-, 4-Methoxyanisole, 4-Methoxyphenol, methyl ether, Anisole, p-methoxy-, Benzene, 1,4-dimethoxy-, Benzene, p-dimethoxy-, BENZENE,1,4-DIMETHOXY, Dimethyl ether hydroquinone, Dimethyl hydroquinone, Dimethylether hydrochinonu, Dimethylhydroquinone, Dimethylhydroquinone ether, Dimethylolbenzimidazolon, Dimethylolbenzimidazolon (german), DMB, FEMA 2386, Hydroquinone dimethyl ether, Hydroquinone, dimethyl ether, Methyl p-methoxyphenyl ether, P-Dimethoxy-benzene, P-dimethoxybenzene, P-Methoxy-anisole, P-methoxyanisole, Quinol dimethyl ether, 14-Dimethoxybenzene, Methyl P-methoxyphenyl ether, P-Dimethoxybenzene, P-Methoxyanisole, Para-dimethoxybenzene, 1,4 dimethoxy-benzene, 1,4-di-methoxybenzene, 1,4-dimethoxybenzene, benzene,1,4-dimethoxy, hydroquinone dimethyl ether, p-dimethoxybenzene |
| Substituent Name | P-dimethoxybenzene, Dimethoxybenzene, Phenol ether, Anisole, Alkyl aryl ether, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | cOC |
| Compound Name | 1,4-Dimethoxybenzene |
| Kingdom | Organic compounds |
| 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 |
| 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 | -2.2938292 |
| Inchi | InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3 |
| Smiles | COC1=CC=C(C=C1)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dimethoxybenzenes |
- 1. Outgoing r'ship
FOUND_INto/from Abelmoschus Esculentus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701211 - 2. Outgoing r'ship
FOUND_INto/from Acacia Aroma (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<266::aid-ffj739>3.0.co;2-5 - 3. Outgoing r'ship
FOUND_INto/from Acacia Caven (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<266::aid-ffj739>3.0.co;2-5 - 4. Outgoing r'ship
FOUND_INto/from Aconitum Fischeri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Apocynum Androsaemifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Bergenia Purpurascens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1689 - 7. Outgoing r'ship
FOUND_INto/from Bergenia Stracheyi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1689 - 8. Outgoing r'ship
FOUND_INto/from Espeletia Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/2939241 - 11. Outgoing r'ship
FOUND_INto/from Handroanthus Impetiginosus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1345 - 12. Outgoing r'ship
FOUND_INto/from Hyacinthus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Lagascea Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Mesua Ferrea (Plant) Rel Props:Reference:ISBN:9770972795006 - 15. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697932 - 16. Outgoing r'ship
FOUND_INto/from Paulownia Tomentosa (Plant) Rel Props:Reference:ISBN:9788185042084 - 17. Outgoing r'ship
FOUND_INto/from Phlegmariurus Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Prunus Mahaleb (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1596 - 19. Outgoing r'ship
FOUND_INto/from Pulmonaria Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Rosa Rugosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Tetracera Alnifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansi (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199703)12:2<123::aid-ffj613>3.0.co;2-4 - 23. Outgoing r'ship
FOUND_INto/from Viscum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701029