4-Propylanisole
PubChem CID: 7702
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| Compound Synonyms | 4-Propylanisole, 1-Methoxy-4-propylbenzene, 104-45-0, 4-n-Propylanisole, Dihydroanethole, p-Propylanisole, p-Propyl anisole, Anisole, p-propyl-, p-n-Propylanisole, Benzene, 1-methoxy-4-propyl-, p-Propylmethoxybenzene, p-n-Propyl anisole, 4-Propylmethoxybenzene, Methyl p-propylphenyl ether, FEMA No. 2930, 1-methoxy-4-propyl-benzene, NSC 37996, EINECS 203-203-4, BRN 2042121, DTXSID0042325, AI3-03434, 932XJ1O77X, NSC-37996, p-Propylphenol methyl ether, P-PROPYL ANISOLE [FCC], DTXCID8022325, P-PROPYL ANISOLE [FHFI], CHEBI:88473, dihydroanethol, propylanisol, Benzene,1-methoxy-4-propyl-, UNII-932XJ1O77X, p-Propyl-Anisole, 4-Promethoxybenzene, MFCD00027121, 4-Methoxyphenylpropane, 4-methoxy phenylpropane, 4-Propylanisole, 8CI, PARA-PROPYLANISOLE, SCHEMBL91277, WLN: 3R DO1, CHEMBL3185876, SCHEMBL12015214, FEMA 2930, 1-Methoxy-4-propylbenzene, 9CI, NSC37996, Tox21_301169, AKOS015839612, p-Propyl anisole, >=99%, FCC, FG, NCGC00248314-01, NCGC00255067-01, AS-75536, CAS-104-45-0, DB-040544, CS-0152413, NS00012228, D97196, Q27160351, 203-203-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCcccccc6))OC |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | 1-Methoxy-4-propylbenzene is a flavouring ingredient. It is found in herbs such as dried bonito (Katsuobishi), capers (Caparis spinosa), aniseed (Pimpinella anisum), leaf oil of apple mint (Mentha rotundifolia), and flower honeys. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 93.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10275 |
| Iupac Name | 1-methoxy-4-propylbenzene |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.5 |
| Superclass | Benzenoids |
| Subclass | Phenylpropanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | KBHWKXNXTURZCD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-Methoxy-4-propyl-benzene, 1-Methoxy-4-propylbenzene, 9CI, 4-n-Propylanisole, 4-Propylanisole, 4-Propylanisole, 8CI, 4-Propylmethoxybenzene, Anisole, p-propyl-, Benzene, 1-methoxy-4-propyl-, Dihydroanethole, FEMA 2930, Methyl p-propylphenyl ether, P-n-propyl anisole, P-n-propylanisole, P-propyl anisole, P-Propyl-anisole, P-propylanisole, P-propylmethoxybenzene, P-propylphenol methyl ether, Propylanisol, Para-propylanisole, 1-Methoxy-4-propylbenzene, 9ci, 4-N-Propylanisole, 4-Propylanisole, 8ci, Methyl P-propylphenyl ether, P-N-Propyl anisole, P-N-Propylanisole, P-Propyl anisole, P-Propylanisole, P-Propylmethoxybenzene, P-Propylphenol methyl ether, 1-methoxy-4-propyl benzene, p-propyl anisole, p-propylanisole |
| Esol Class | Soluble |
| Functional Groups | cOC |
| Compound Name | 4-Propylanisole |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3 |
| Smiles | CCCC1=CC=C(C=C1)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenylpropanes |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700327 - 2. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Reference:ISBN:9788185042145 - 3. Outgoing r'ship
FOUND_INto/from Mentha Rotundifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701121