Mol Weight - 150.22
Smiles - CC(C)(C)c(cccc1)c1O
| Property Name | Property Value |
| Mol Name | Ortho Tertiary Butyl Phenol |
| Molweight | 150.22 |
| Monoisotopic Mass | 150.104465 |
| Clogp | 2.8958 |
| Clogs | -2.48 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 126.8 |
| Relative Psa | 0.10331 |
| Polar Surface Area | 20.23 |
| Druglikeness | -5.276 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.54545 |
| Molecular Flexibility | 0.47198 |
| Molecular Complexity | 0.65917 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 2 |
| Smiles | CC(C)(C)c(cccc1)c1O |
| InChIKey | InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3 |
| InChI | WJQOZHYUIDYNHM-UHFFFAOYSA-N |
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1 — Ortho Tertiary Butyl Phenol | 2 — Ortho Tertiary Butyl Phenol