3,5-Dimethylbenzyl alcohol
PubChem CID: 33706
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| Compound Synonyms | 27129-87-9, 3,5-DIMETHYLBENZYL ALCOHOL, (3,5-Dimethylphenyl)methanol, 3,5-Dimethylbenzylalcohol, 3,5-Dimethylbenzenemethanol, Benzenemethanol, 3,5-dimethyl-, Benzyl alcohol, 3,5-dimethyl-, EINECS 248-241-2, MFCD00004648, DTXSID30181593, 1-(Hydroxymethyl)-3,5-dimethylbenzene, 7UXP4Z8EX9, SCHEMBL92965, 3,5-Dimethyl benzyl alcohol, (3,5-Dimethylphenyl)methanol #, DTXCID70104084, CHEBI:231518, 3,5-Dimethylbenzyl alcohol, 98%, BCP32520, 3,5-Dimethyl-1-hydroxymethylbenzene, AKOS009157538, FD70768, AS-18666, SY009135, DB-067735, CS-0153260, NS00028258, EN300-1259109, 3,5-Dimethylbenzenemethanol, 3,5-Dimethylbenzylalcohol, InChI=1/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H, 248-241-2 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3,5-dimethylphenyl)methanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C9H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IQWWTJDRVBWBEL-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.917 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.523 |
| Compound Name | 3,5-Dimethylbenzyl alcohol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 136.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1775028 |
| Inchi | InChI=1S/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3 |
| Smiles | CC1=CC(=CC(=C1)CO)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients