4,4'-Methanediylbis(2-methoxyphenol)
PubChem CID: 235387
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| Compound Synonyms | 3888-22-0, 4,4'-methanediylbis(2-methoxyphenol), 4,4'-Methylenebis(2-methoxyphenol), NSC36672, 4-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methoxyphenol, Phenol, 4,4'-methylenebis[2-methoxy-, SCHEMBL68178, CHEMBL3746390, DTXSID30284311, NTZWJMKBBBBUGE-UHFFFAOYSA-N, NSC-36672, 4,4'-Dioxy-3,3'-dimethoxydiphenylmethan, Diphenylmethane, 4,4'-bis-hydroxy-3,3'-bis-methoxy |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 4-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NTZWJMKBBBBUGE-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.186 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.973 |
| Compound Name | 4,4'-Methanediylbis(2-methoxyphenol) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 260.279 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.383360221052631 |
| Inchi | InChI=1S/C15H16O4/c1-18-14-8-10(3-5-12(14)16)7-11-4-6-13(17)15(9-11)19-2/h3-6,8-9,16-17H,7H2,1-2H3 |
| Smiles | COC1=C(C=CC(=C1)CC2=CC(=C(C=C2)O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all