3-Methylbenzyl alcohol
PubChem CID: 11476
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-METHYLBENZYL ALCOHOL, 587-03-1, (3-Methylphenyl)methanol, m-tolylmethanol, m-Tolyl carbinol, Benzenemethanol, 3-methyl-, m-METHYLBENZYL ALCOHOL, m-Tolualcohol, 3-methylbenzylalcohol, m-Methyl benzyl alcohol, 3-methyl-benzenemethanol, NSC 9397, EINECS 209-595-3, TTG38P37U6, AI3-21575, NSC-9397, MFCD00004646, DTXSID4039497, CHEBI:27995, BENZENEMETHANOL, 3-METHYL, BENZYL ALCOHOL, M-METHYL-, 3-MBA, UNII-TTG38P37U6, 3-Tolylcarbinol, MECLIZINE HYDROCHLORIDE IMPURITY, 3-METHYLBENZYL ALCOHOL-(USP IMPURITY), MECLIZINE HYDROCHLORIDE IMPURITY, 3-METHYLBENZYL ALCOHOL-[USP IMPURITY], 3-methylphenylmethanol, 3-Methylbenzenemethanol, alpha-Hydroxy-m-xylene, 3-methyl-benzyl alcohol, Benzenemethanol, 3methyl, bmse000540, (3-Methylphenyl)methanol #, SCHEMBL10735, ghl.PD_Mitscher_leg0.163, 3-Methylbenzyl alcohol, 98%, DTXCID2019497, NSC9397, AKOS000249532, FM76529, AS-57708, SY049022, DB-072514, CS-0204774, M1124, NS00034003, C07216, EN300-309269, H10820, Q27290322, MECLIZINE HYDROCHLORIDE IMPURITY, 3-METHYLBENZYL ALCOHOL- [USP IMPURITY], 209-595-3 |
|---|---|
| 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 | OCcccccc6)C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzyl alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3-methylphenyl)methanol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | JJCKHVUTVOPLBV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 3-methylbenzyl alcohol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 3-Methylbenzyl alcohol |
| Exact Mass | 122.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 122.16 |
| 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/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3 |
| Smiles | CC1=CC(=CC=C1)CO |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112