Benzyl 3-hydroxyphenyl ether
PubChem CID: 138048
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| Compound Synonyms | 3-(benzyloxy)phenol, 3769-41-3, 3-Benzyloxyphenol, Phenol, 3-(phenylmethoxy)-, 3-phenylmethoxyphenol, Benzyl 3-hydroxyphenyl ether, 3-Benzyloxy phenol, MFCD00134682, DTXSID00191129, 3-benzyloxy-phenol, 3-(phenylmethoxy)phenol, m-PhCH2OC6H4OH, Resorcinol Monobenzyl Ether, SCHEMBL384725, DTXCID60113620, FOTVZLOJAIEAOY-UHFFFAOYSA-N, AKOS009156599, CS-W019380, DS-5106, SY031994, DB-049176, B2070, EN300-102053, AC-776/41252577, 678-060-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CCC2CCCCC2)CC1 |
| Deep Smiles | Occcccc6)OCcccccc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Phenol ethers |
| Scaffold Graph Node Level | C1CCC(COC2CCCCC2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 175.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-phenylmethoxyphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H12O2 |
| Scaffold Graph Node Bond Level | c1ccc(COc2ccccc2)cc1 |
| Inchi Key | FOTVZLOJAIEAOY-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 3-benzyloxyphenol |
| Esol Class | Soluble |
| Functional Groups | cO, cOC |
| Compound Name | Benzyl 3-hydroxyphenyl ether |
| Exact Mass | 200.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 200.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H12O2/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9,14H,10H2 |
| Smiles | C1=CC=C(C=C1)COC2=CC=CC(=C2)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643949