2,4,5-Trimethylbenzyl alcohol
PubChem CID: 583494
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| Compound Synonyms | 2,4,5-Trimethylbenzyl alcohol, (2,4,5-Trimethylphenyl)methanol, 4393-05-9, .alpha.-Durenol, Benzyl alcohol, 2,4,5-trimethyl-, Pseudocumene-5-methylol, Benzenemethanol, 2,4,5-trimethyl-, 2,4,5-Trimethyl-benzenemethanol, DTXSID90342643, alpha-Durenol, SCHEMBL394846, DTXCID50293723, (2,4,5-trimethyl-phenyl)-methanol, (2,4,5-Trimethylphenyl)methanol #, 2,5-dimethyl-4-methylbenzyl alcohol, AKOS000125167, FT70494, CS-0452528, (2,4,5-Trimethylphenyl)methanol, AldrichCPR |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | OCcccC)ccc6C)))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzyl alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2,4,5-trimethylphenyl)methanol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | GHDQBJLOOLNHCJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2,4,5-trimethyl benzyl alcohol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 2,4,5-Trimethylbenzyl alcohol |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| 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/C10H14O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-5,11H,6H2,1-3H3 |
| Smiles | CC1=CC(=C(C=C1C)CO)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.960277