1-(2-Butoxyethoxy)-2-propanol
PubChem CID: 31287
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| Compound Synonyms | 1-Butoxyethoxy-2-propanol, 1-(2-Butoxyethoxy)propan-2-ol, 124-16-3, 1-(2-BUTOXYETHOXY)-2-PROPANOL, 2-Propanol, 1-(2-butoxyethoxy)-, 4,7-Dioxaundecan-2-ol, (Butoxyethoxy)propanol, 2-Butoxy-1-(2'-hydroxypropoxy)ethane, 1-(Butoxyethoxy)-2-propanol, HSDB 5604, NSC 7351, EINECS 204-684-3, BRN 1699716, NSC-7351, 278Y96Q13O, DTXSID1041213, (BUTOXYETHOXY)PROPANOL [HSDB], 2-BUTOXY-1-(2-HYDROXYPROPOXY)ETHANE, UNII-278Y96Q13O, NSC7351, 4,7Dioxaundecan2ol, 1Butoxyethoxy2propanol, 2Propanol, 1(2butoxyethoxy), SCHEMBL232613, DTXCID9021213, 2Butoxy1(2'hydroxypropoxy)ethane, AKOS011044116, DB-041766, NS00021578, Q27254182, 204-684-3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCOCCOCCO)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 85.8 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-butoxyethoxy)propan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H20O3 |
| Inchi Key | NPMRPDRLIHYOBW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | 1-(2-butoxyethoxy)- 2-propanol |
| Esol Class | Very soluble |
| Functional Groups | CO, COC |
| Compound Name | 1-(2-Butoxyethoxy)-2-propanol |
| Exact Mass | 176.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 176.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H20O3/c1-3-4-5-11-6-7-12-8-9(2)10/h9-10H,3-8H2,1-2H3 |
| Smiles | CCCCOCCOCC(C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Euryale Ferox (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1595165