Benzene, 1-methyl-3-propyl-
PubChem CID: 14092
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| Compound Synonyms | 1-METHYL-3-PROPYLBENZENE, 1074-43-7, 3-Propyltoluene, m-Propyltoluene, Benzene, 1-methyl-3-propyl-, Toluene, m-propyl-, 3-n-Propyltoluene, 1-Methyl-3-n-propylbenzene, I0ZJ4I1KOV, EINECS 214-040-3, NSC 73974, NSC-73974, DTXSID4061468, UNII-I0ZJ4I1KOV, 3-Propyl-toluene, MFCD00059247, 1-methyl-3-propyl-benzene, Toluene, m-propyl-(8CI), 1-Methyl-3-n-propyl benzene, DTXCID2033077, NSC73974, AKOS016846127, FM157458, LS-13805, NS00021495, P0748, D92006, Q27280221 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCcccccc6)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-3-propylbenzene |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.6 |
| Superclass | Benzenoids |
| Subclass | Phenylpropanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | QUEBYVKXYIKVSO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1-methyl-3-propylbenzene |
| Esol Class | Soluble |
| Compound Name | Benzene, 1-methyl-3-propyl- |
| Kingdom | Organic compounds |
| Exact Mass | 134.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 134.22 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3 |
| Smiles | CCCC1=CC=CC(=C1)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenylpropanes |
- 1. Outgoing r'ship
FOUND_INto/from Nigella Sativa (Plant) Rel Props:Reference:ISBN:9770972795006