2,3',5-Trimethyldiphenylmethane
PubChem CID: 12546953
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| Compound Synonyms | 61819-81-6, 2,3',5-Trimethyldiphenylmethane, DTXSID50502100, 1,4-Dimethyl-2-(3-methylbenzyl)benzene, 1,4-DIMETHYL-2-[(3-METHYLPHENYL)METHYL]BENZENE, DTXCID10452910, HS-6559 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CCCCC2)CC1 |
| Deep Smiles | Ccccccc6)CcccC)ccc6C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(CC2CCCCC2)CC1 |
| Classyfire Subclass | Diphenylmethanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 208.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dimethyl-2-[(3-methylphenyl)methyl]benzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H18 |
| Scaffold Graph Node Bond Level | c1ccc(Cc2ccccc2)cc1 |
| Inchi Key | YTJPRANBPZEJJR-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,3,5-trimethyldiphenylmethane |
| Esol Class | Moderately soluble |
| Compound Name | 2,3',5-Trimethyldiphenylmethane |
| Exact Mass | 210.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 210.31 |
| Gi Absorption | False |
| 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/C16H18/c1-12-5-4-6-15(9-12)11-16-10-13(2)7-8-14(16)3/h4-10H,11H2,1-3H3 |
| Smiles | CC1=CC(=CC=C1)CC2=C(C=CC(=C2)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Macrocarpus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1278183