1-Methyl-2-propylbenzene
PubChem CID: 14091
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| Compound Synonyms | 1-METHYL-2-PROPYLBENZENE, 2-Propyltoluene, 1074-17-5, 2-n-Propyltoluene, o-Propyltoluene, 1-Methyl-2-n-propylbenzene, Toluene, o-propyl-, Benzene, 1-methyl-2-propyl-, O-Propyl-Toluene, O-Propyltoluene, 8CI, EINECS 214-037-7, NSC 73977, 1-Methyl-2-propyl-Benzene, 1-Methyl-2-n-propyl benzene, DTXSID4061466, 2-METHYL-1-PROPYLBENZENE, NSC-73977, oPropyltoluene, 2nPropyltoluene, 2Propyltoluene, Toluene, opropyl, NSC73977, MFCD00059246, 1Methyl2npropylbenzene, Benzene, 1methyl2propyl, Toluene, opropyl (8CI), SC345TN8SW, Toluene, o-propyl- (8CI), DTXCID2033075, CHEBI:185869, AKOS016846217, CS-0339507, NS00021494, P0747, T71577, Q63396360, 214-037-7 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Description | Found in cotton plant volatiles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-2-propylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C10H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YQZBFMJOASEONC-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.091 |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Logd | 3.922 |
| Synonyms | 1-Methyl-2-n-propylbenzene, 1-Methyl-2-propyl-benzene, 2-n-Propyltoluene, 2-Propyltoluene, Benzene, 1-methyl-2-propyl-, O-Propyl-toluene, O-propyltoluene, o-Propyltoluene, 8CI, Toluene, o-propyl-, Toluene, o-propyl- (8CI) |
| Compound Name | 1-Methyl-2-propylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 134.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8191763999999995 |
| Inchi | InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3 |
| Smiles | CCCC1=CC=CC=C1C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Wilsonii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients