3-(Naphthalen-1-yl)propan-1-ol
PubChem CID: 14711518
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| Compound Synonyms | 3-(naphthalen-1-yl)propan-1-ol, 1-Naphthalenepropanol, 27653-22-1, 3-naphthalen-1-ylpropan-1-ol, 3-(1-naphthyl)-1-propanol, 3-(naphth-1-yl)propanol, SCHEMBL80656, 3-(1-naphthyl)-propan-1-ol, 3-(Naphth-1-yl)propan-1-ol, LSYAESHKCVOHFC-UHFFFAOYSA-N, CBA65322, AKOS011897068, DA-29131, EN300-80832, Z993012474 |
|---|---|
| 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 | OCCCcccccc6cccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-naphthalen-1-ylpropan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H14O |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Inchi Key | LSYAESHKCVOHFC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-naphthalene propanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 3-(Naphthalen-1-yl)propan-1-ol |
| Exact Mass | 186.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 186.25 |
| 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/C13H14O/c14-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9,14H,4,8,10H2 |
| Smiles | C1=CC=C2C(=C1)C=CC=C2CCCO |
| 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