01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1-(2-methoxypropan-2-yl)-4-methylbenzene
- Molecular Formula
- C11H16O
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CC=C(C=C1)C(C)(C)OC
- Isomeric SMILES
- CC1=CC=C(C=C1)C(C)(C)OC
- InChI
- InChI=1S/C11H16O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5-8H,1-4H3
- Oral Bioavailability
- 33.137
- Drug Likeness
- 0.653
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient1 Herbs