Naphthalen-1-ethanol
PubChem CID: 13047
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| Compound Synonyms | 1-Naphthaleneethanol, 773-99-9, 2-(1-Naphthyl)ethanol, 2-(naphthalen-1-yl)ethanol, 1-(2-HYDROXYETHYL)NAPHTHALENE, Naphthalen-1-ethanol, 2-naphthalen-1-ylethanol, 1-naphthalene ethanol, MFCD00004050, EINECS 212-260-4, 2-(naphthalen-1-yl)ethan-1-ol, DTXSID00228020, NSC 28342, 1-napthaleneethanol, NSC28342, 2-(1-naphthy)ethanol, 2-(naphth-1-yl)ethanol, 2-(1-Naphthalene)ethanol, 2-naphthalen-1-yl-ethanol, 1-Naphthaleneethanol, 95%, SCHEMBL27550, 2-(1-naphthyl)-1-ethanol, 2-(.alpha.-Naphthyl)ethanol, 1-(2-hydroxy-ethyl)-naphthalene, DTXCID20150511, AC1462, NSC-28342, naphthalene-1-thanol, Naphthyelthanol, AKOS009158187, AC-4486, CS-W017592, FN14794, FS-1800, HY-W016876, SY020508, DB-005046, DB-312249, N0575, NS00037916, EN300-1637768, AQ-917/40233986, Z397587504, 212-260-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Deep Smiles | OCCcccccc6cccc6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-naphthalen-1-ylethanol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H12O |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Inchi Key | RXWNCMHRJCOWDK-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1-naphthalene ethanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Naphthalen-1-ethanol |
| Exact Mass | 172.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 172.22 |
| 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/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2 |
| Smiles | C1=CC=C2C(=C1)C=CC=C2CCO |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1491331