o-Cymen-5-ol
PubChem CID: 18597
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| Compound Synonyms | 4-Isopropyl-3-methylphenol, 3228-02-2, 3-Methyl-4-isopropylphenol, o-CYMEN-5-OL, 3-methyl-4-propan-2-ylphenol, 4-Isopropyl-m-cresol, Biosol, Phenol, 3-methyl-4-(1-methylethyl)-, p-Thymol, o-Cymen-5y-ol, Frecide, 4-Isopropyl-5-methylphenol, isopropylmethylphenol, 4-isopropyl-3-methyl-phenol, Biosal (antibacterial), 1-Hydroxy-3-methyl-4-isopropylbenzene, 3-methyl-4-(propan-2-yl)phenol, 3-Methyl-4-(1-methylethyl)phenol, MFCD00010704, DEKACYMEN, H41B6Q1I9L, EINECS 221-761-7, NSC 62111, NSC-62111, BRN 1364028, UNII-H41B6Q1I9L, 2-CYMEN-5-OL, CYMEN-5-OL, O-, DTXSID10186026, 4-I-PROPYL-3-METHYLPHENOL, 3-METHYL-4-(PROPAN-2-YL)BENZOLOL, 4-06-00-03325 (Beilstein Handbook Reference), NORO-X Foaming HandSoap, 4-iso-Propyl-3-methylphenol, BIDD:ER0450, SCHEMBL133674, phenol, 4-isopropyl-3-methyl-, CHEBI:34429, IJALWSVNUBBQRA-UHFFFAOYSA-, DTXCID20108517, O-CYMEN-5Y-OL [WHO-DD], 4-Isopropyl-3-methylphenol, 99%, NSC62111, AKOS000119826, AC-9076, DS-6343, BP-12478, SY051849, DB-048192, CS-0072744, M0409, NS00008446, EN300-20058, F17347, Q27116059, F0001-0962, Z104476618, InChI=1/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3, 221-761-7 |
|---|---|
| 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 | Menthane monoterpenoids |
| Deep Smiles | Occcccc6)C))CC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cumenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 120.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-4-propan-2-ylphenol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IJALWSVNUBBQRA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4 |
| Logs | -2.238 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.456 |
| Synonyms | biosol, p-thymol |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | o-Cymen-5-ol |
| Prediction Hob Swissadme | 1.0 |
| 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 |
| Esol | -2.992706563636364 |
| Inchi | InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3 |
| Smiles | CC1=C(C=CC(=C1)O)C(C)C |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Reference:ISBN:9788172361150; ISBN:9788185042053 - 4. Outgoing r'ship
FOUND_INto/from Ligusticum Chuanxiong (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Paederia Scandens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all