1,3-Dimethoxybenzene
PubChem CID: 9025
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| Compound Synonyms | 1,3-Dimethoxybenzene, 151-10-0, Benzene, 1,3-dimethoxy-, M-DIMETHOXYBENZENE, Resorcinol dimethyl ether, 3-Methoxyanisole, Benzene, m-dimethoxy-, Dimethyl resorcinol, Methoxyanisole, m-, m-Methoxyanisole, Dimethylresorcinol, Dimethylether resorcinolu, FEMA No. 2385, m-dimethoxy-benzene, m-Dimethoxy benzene, 1,3-DIMETHOXY BENZENE, Dimethylether resorcinolu [Czech], NSC 8699, EINECS 205-783-4, UNII-2694Z07HQY, DTXSID2047060, AI3-00845, 1,3-Dimethoxy-benzene, 2694Z07HQY, NSC-8699, meta-dimethyl hydroquinone, 1,3-DIMETHOXYBENZEN-2,4,5,6-D4, DTXCID0027060, CHEBI:89853, M-DIMETHOXYBENZENE [FHFI], 3-METHOXYPHENYL METHYL ETHER, mMethoxyanisole, 3Methoxyanisole, mDimethoxybenzene, Methoxyanisole, m, Benzene, mdimethoxy, meta-dimethoxybenzene, MFCD00008384, 1,3 dimethoxybenzene, Benzene,3-dimethoxy-, resorcinol dimethylether, Benzene, 1,3dimethoxy, SCHEMBL9350, CHEMBL2252486, SCHEMBL13322163, 1,3-Dimethoxybenzene, >=98%, NSC8699, STR00616, Tox21_302348, 1,3-Dimethoxybenzene, >=98%, FG, AKOS000120162, CS-W018510, FD02251, NCGC00256016-01, 1,3-Dimethoxybenzene, analytical standard, CAS-151-10-0, HY-34487, DB-013763, D0628, NS00013171, EN300-16149, Resorcinol dimethyl ether, 2,4-Dimethoxybenzene, Q27162036, F0001-0538, 205-783-4 |
|---|---|
| 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 |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxybenzenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 83.3 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dimethoxybenzene |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.2 |
| Superclass | Benzenoids |
| Subclass | Methoxybenzenes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | DPZNOMCNRMUKPS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Synonyms | 3-Methoxyanisole, Butyl ricinoleate, Dimethyl resorcinol, Dimethylresorcinol, m-Dimethoxy-benzene, m-Dimethoxybenzene, m-Methoxyanisole, Resorcinol dimethyl ether, Meta-dimethoxybenzene, 1,3-dimethoxy benzene, 1,3-dimethoxybenzene, m-dimethoxybenzene, resorcinol dimethyl ether, resorcinol dimethylether |
| Esol Class | Soluble |
| Functional Groups | cOC |
| Compound Name | 1,3-Dimethoxybenzene |
| Kingdom | Organic compounds |
| 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 |
| Inchi | InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3 |
| Smiles | COC1=CC(=CC=C1)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dimethoxybenzenes |
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FOUND_INto/from Verbascum Thapsus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644063