5-(Benzyloxy)pentan-1-ol
PubChem CID: 221194
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| Compound Synonyms | 5-Benzyloxy-1-pentanol, 4541-15-5, 5-(Benzyloxy)pentan-1-ol, 5-benzyloxypentanol, 5-phenylmethoxypentan-1-ol, 1-Pentanol, 5-(benzyloxy)-, 1-Pentanol, 5-(phenylmethoxy)-, 5-[(Benzyl-4-D)oxy]-1-pentanol, MFCD00216583, 2122800-02-4, 5-benzyloxy-pentan-1-ol, NSC5422, 5-phenylmethoxypentanol, 5-benzyloxypentan-1-ol, 5-(Benzyloxy)-1-pentanol, 5-hydroxypentyl benzyl ether, 7-phenyl-6-oxaheptan-1-ol, SCHEMBL97795, 5-(Benzyloxy)-1-pentanol #, 5-Benzyloxy-1-pentanol, 95%, DTXSID90277966, NSC-5422, MFCD31699972, AKOS015916525, CS-W010646, BP-22209, DA-05731, DS-11334, SY115703, SY246303, 10.14272/RZVDPWSEPVHOPU-UHFFFAOYSA-N, A10053, EN300-218832, doi:10.14272/RZVDPWSEPVHOPU-UHFFFAOYSA-N, 625-000-3 |
|---|---|
| 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 | C1CCCCC1 |
| Deep Smiles | OCCCCCOCcccccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzylethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 119.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-phenylmethoxypentan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H18O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | RZVDPWSEPVHOPU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 5-phenylmethoxy-1-pentanol |
| Esol Class | Soluble |
| Functional Groups | CO, COC |
| Compound Name | 5-(Benzyloxy)pentan-1-ol |
| Exact Mass | 194.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 194.27 |
| 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/C12H18O2/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2 |
| Smiles | C1=CC=C(C=C1)COCCCCCO |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Osmanthus Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1989.9697802