2-Allyl-6-methylphenol
PubChem CID: 76883
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| Compound Synonyms | 2-Allyl-6-methylphenol, 3354-58-3, 6-Allyl-o-cresol, Phenol, 2-methyl-6-(2-propenyl)-, 2-methyl-6-prop-2-enylphenol, 2-ALLYL-6-METHYL-PHENOL, 6-Allyl-2-cresol, o-Cresol, 6-allyl-, BGU079WOI3, 2-methyl-6-(prop-2-en-1-yl)phenol, 2-methyl-6-allylphenol, 6-Allyl-2-methylphenol, EINECS 222-124-6, MFCD00002241, NSC-60286, AI3-17108, DTXSID50187198, NSC 60286, 2-allyl-6 -methylphenol, UNII-BGU079WOI3, Phenol, 2-allyl-6-methyl-, LYL, SCHEMBL722558, WLN: QR B1 F2U1, 2-Allyl-6-methylphenol, 98%, NIOSH/SJ4558500, 2-Methyl-6-(2-propenyl)phenol, WREVCRYZAWNLRZ-UHFFFAOYSA-, DTXCID60109689, 2-methyl-6-prop-2-en-1-ylphenol, NSC60286, AC5932, AKOS005352441, DB03301, BS-22838, PD007106, SY251122, NS00029507, SJ45585000, Q27094225, F9995-1599, InChI=1/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3, 222-124-6 |
|---|---|
| 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 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | Ccccccc6O))CC=C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cresols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 131.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-6-prop-2-enylphenol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WREVCRYZAWNLRZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.2 |
| Logs | -2.223 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.35 |
| Synonyms | 2-methyl-6-2-propeny1)-phenol |
| Esol Class | Soluble |
| Functional Groups | C=CC, cO |
| Compound Name | 2-Allyl-6-methylphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 148.2 |
| 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 |
| Esol | -2.9205073636363634 |
| Inchi | InChI=1S/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3 |
| Smiles | CC1=C(C(=CC=C1)CC=C)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
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