1-(Benzo[d][1,3]dioxol-5-yl)butan-1-ol
PubChem CID: 10375365
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| Compound Synonyms | 6890-31-9, 1-(Benzo[d][1,3]dioxol-5-yl)butan-1-ol, 1-[3,4-(Methylenedioxy)phenyl]-1-butanol, alpha-propyl-piperonyl alcohol, SCHEMBL5493126, JDNZZHLJFNDNMX-UHFFFAOYSA-N, 1-(1,3-benzodioxol-5-yl)-1butanol, AKOS013210154, 1-(1,3-benzodioxol-5-yl)-1-butanol, 1-(3,4-methylenedioxyphenyl)-n-butanol |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(1,3-benzodioxol-5-yl)butan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C11H14O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JDNZZHLJFNDNMX-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -2.56 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.477 |
| Compound Name | 1-(Benzo[d][1,3]dioxol-5-yl)butan-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 194.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 194.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.637568857142857 |
| Inchi | InChI=1S/C11H14O3/c1-2-3-9(12)8-4-5-10-11(6-8)14-7-13-10/h4-6,9,12H,2-3,7H2,1H3 |
| Smiles | CCCC(C1=CC2=C(C=C1)OCO2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sagittaria Sagittifolia (Plant) Rel Props:Source_db:cmaup_ingredients