1-Methoxy-4-Methylbenzene
PubChem CID: 7731
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| Compound Synonyms | 4-Methylanisole, 1-METHOXY-4-METHYLBENZENE, 104-93-8, p-Methylanisole, 4-Methoxytoluene, p-Methoxytoluene, Benzene, 1-methoxy-4-methyl-, p-Cresol methyl ether, p-Cresyl methyl ether, p-methyl anisole, Anisole, p-methyl-, 4-Methyl anisole, Methyl p-cresol, Methyl p-tolyl ether, p-Tolyl methyl ether, para-Methylanisole, Methyl p-cresyl ether, 1-Methyl-4-methoxybenzene, 4-Methyl-1-methoxybenzene, 4-Methylphenol methyl ether, Methyl 4-methylphenyl ether, Methyl-para-cresol, para-Methoxytoluene, Methyl p-methylphenyl ether, para-Cresyl methyl ether, p-methylanisol, Toluene, 4-methoxy-, FEMA No. 2681, FEMA Number 2681, para-methyl anisole, 1-Methoxy-4-methyl-benzene, NSC 6254, HSDB 5363, 4-Methylanizole, EINECS 203-253-7, para-Methyl anisol, 10FAI0OR9W, 4-methylmethoxybenzene, DTXSID9026710, AI3-07621, NSC-6254, 4-CRESOL METHYL ETHER, P-METHYLANISOLE [FHFI], CHEMBL154155, DTXCID306710, P-METHYL ANISOLE [FCC], CHEBI:89728, EC 203-253-7, 1-METHOXY-4-METHYLBENZENE [HSDB], 4-methylanisol, PARA-CRESOL DEUTEROMETHYL ETHER, MFCD00008413, UNII-10FAI0OR9W, pMethoxytoluene, pMethylanisole, 4Methoxytoluene, Methylparacresol, Methyl pcresol, paraMethylanisole, 4Methyl anisole, p- methylanisole, Anisole, pmethyl, paraMethoxytoluene, p-Methyl-Anisole, p-Methoxy toluene, 4-methoxy-toluene, Toluene, 4methoxy, Methyl ptolyl ether, pTolyl methyl ether, Methyl pcresyl ether, pCresol methyl ether, pCresyl methyl ether, 1Methyl4methoxybenzene, 4Methyl1methoxybenzene, paraCresyl methyl ether, 4-Methylanisole (MSO), P- METHOXYTOLUENE, 4-Methylanisole, 99%, Benzene, 1methoxy4methyl, Methyl pmethylphenyl ether, 4Methylphenol methyl ether, Methyl 4methylphenyl ether, 1-methyoxy-4-methylbenzene, SCHEMBL12464, WLN: 1OR D1, SCHEMBL2489775, SCHEMBL12015216, FEMA 2681, NSC6254, LRB43136, 4-Methylanisole, analytical standard, Tox21_201081, BDBM50008555, STL268886, AKOS000121016, 4-Methylanisole, >=99%, FCC, FG, CS-W013551, HY-W012835, NCGC00248917-01, NCGC00258634-01, BS-23266, CAS-104-93-8, PD164982, M0149, NS00010202, EN300-16112, Q15726084, Z53834227, F0001-0094 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COcccccc6))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Phenol ethers |
| Description | Isolated from ylang-ylang, cananga and other essential oilsand is also present in tomato and Camembert cheese. Flavouring ingredient. 1-Methoxy-4-methylbenzene is found in milk and milk products, herbs and spices, and garden tomato. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Anisoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.6 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22303 |
| Iupac Name | 1-methoxy-4-methylbenzene |
| Class | Phenol ethers |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.7 |
| Superclass | Benzenoids |
| Subclass | Anisoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | CHLICZRVGGXEOD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Liquid |
| Synonyms | 1-Methoxy-4-methyl-benzene, 1-Methoxy-4-methylbenzene, 1-Methyl-4-methoxybenzene, 4-Methoxy-toluene, 4-Methoxybenzylradical, 4-Methoxytoluene, 4-Methyl anisole, 4-Methyl-1-methoxybenzene, 4-Methylanisole, 4-methylmethoxybenzene, 4-Methylphenol methyl ether, Anisole, p-methyl-, Benzene, 1-methoxy-4-methyl-, FEMA 2681, Methyl 4-methylphenyl ether, Methyl p-cresol, Methyl p-cresyl ether, Methyl p-methylphenyl ether, Methyl p-tolyl ether, Methyl-para-cresol, P-cresol methyl ether, P-cresyl methyl ether, P-methoxytoluene, P-Methyl-anisole, P-methylanisol, P-methylanisole, P-tolyl methyl ether, Para-cresyl methyl ether, Para-methoxytoluene, Para-methyl anisol, Para-methyl anisole, Para-methylanisole, Toluene, 4-methoxy-, p-Methyl anisole, p-Cresyl methyl ether, 4-Methylmethoxybenzene, Methyl P-cresol, Methyl P-cresyl ether, Methyl P-methylphenyl ether, Methyl P-tolyl ether, P-Cresol methyl ether, P-Methoxytoluene, P-Methylanisol, P-Methylanisole, P-Tolyl methyl ether, p-methylanisole |
| Esol Class | Soluble |
| Functional Groups | cOC |
| Compound Name | 1-Methoxy-4-Methylbenzene |
| Kingdom | Organic compounds |
| Exact Mass | 122.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 122.16 |
| 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 |
| Inchi | InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3 |
| Smiles | CC1=CC=C(C=C1)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Anisoles |
- 1. Outgoing r'ship
FOUND_INto/from Mimusops Elengi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698425 - 2. Outgoing r'ship
FOUND_INto/from Moringa Oleifera (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.813189 - 3. Outgoing r'ship
FOUND_INto/from Santolina Chamaecyparissus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884769