2,4-Dimethylbenzyl alcohol
PubChem CID: 27809
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| Compound Synonyms | 16308-92-2, 2,4-DIMETHYLBENZYL ALCOHOL, (2,4-Dimethylphenyl)methanol, Benzenemethanol, 2,4-dimethyl-, (2,4-Dimethyl-phenyl)-methanol, 2,4-Dimethylbenzenemethanol, MFCD00004624, Benzyl alcohol, 2,4-dimethyl-, EINECS 240-393-8, AI3-21159, DTXSID90167510, 2,4-dimethylbenzylalcohol, Benzenemethanol,2,4-dimethyl-, 2,4 -dimethylbenzyl alcohol, SCHEMBL95787, DTXCID4090001, (2,4-Dimethylphenyl)methanol #, CHEBI:231516, 2,4-Dimethylbenzyl alcohol, 96%, 2 pound not4-Dimethylbenzyl Alcohol, AKOS000249316, 1-(hydroxymethyl)-2,4-dimethylbenzene, AB92955, FD70069, DA-09591, DS-14794, SY049649, CS-0128392, D4519, NS00025319, EN300-140495, Z335244716, InChI=1/C9H12O/c1-7-3-4-9(6-10)8(2)5-7/h3-5,10H,6H2,1-2H, 240-393-8 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2,4-dimethylphenyl)methanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C9H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QUIMJTKRVOBTQN-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.92 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.137 |
| Compound Name | 2,4-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 | -2.5618028 |
| Inchi | InChI=1S/C9H12O/c1-7-3-4-9(6-10)8(2)5-7/h3-5,10H,6H2,1-2H3 |
| Smiles | CC1=CC(=C(C=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