2-(3-Methylphenyl)propan-2-ol
PubChem CID: 255195
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-(3-methylphenyl)propan-2-ol, 5208-37-7, 2-(3-Methylphenyl)-2-propanol, m-Cymen-8-ol, 2-(m-Tolyl)propan-2-ol, 2-(3-Tolyl)-2-propanol, m-Cymenol, NSC80511, 2-m-tolylpropan-2-ol, SCHEMBL2538414, NARIBLVZTLPQJB-UHFFFAOYSA-N, DTXSID601016804, FAA20837, NSC 80511, NSC-80511, DB-314181, Benzenemethanol, .alpha.,.alpha.,3-trimethyl-, EN300-1830390, 5069-56-7 |
|---|---|
| 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 |
| Deep Smiles | Ccccccc6)CO)C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-methylphenyl)propan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | NARIBLVZTLPQJB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | m-cymen-8-ol, m-cymenol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 2-(3-Methylphenyl)propan-2-ol |
| 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/c1-8-5-4-6-9(7-8)10(2,3)11/h4-7,11H,1-3H3 |
| Smiles | CC1=CC(=CC=C1)C(C)(C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Abies Balsamea (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644040 - 2. Outgoing r'ship
FOUND_INto/from Angelica Archangelica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.10554250 - 3. Outgoing r'ship
FOUND_INto/from Artemisia Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699162 - 4. Outgoing r'ship
FOUND_INto/from Boswellia Serrata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1124 - 5. Outgoing r'ship
FOUND_INto/from Dysphania Ambrosioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712118 - 6. Outgoing r'ship
FOUND_INto/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699150 - 7. Outgoing r'ship
FOUND_INto/from Juniperus Phoenicea (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643609 - 8. Outgoing r'ship
FOUND_INto/from Juniperus Recurva (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700832 - 9. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698759 - 10. Outgoing r'ship
FOUND_INto/from Origanum Onites (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699077 - 11. Outgoing r'ship
FOUND_INto/from Picea Abies (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699244 - 12. Outgoing r'ship
FOUND_INto/from Pinus Sylvestris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699413 - 13. Outgoing r'ship
FOUND_INto/from Pistacia Chinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700907