4-Propylphenol
PubChem CID: 12580
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-PROPYLPHENOL, 645-56-7, 4-n-Propylphenol, p-Propylphenol, Dihydrochavicol, Phenol, 4-propyl-, Phenol, p-propyl-, 1-Hydroxy-4-n-propylbenzene, 4-Propyl-phenol, p-n-Propylphenol, p-Hydroxypropylbenzene, FEMA No. 3649, Hydroxypropylbenzene, p-, MFCD00002395, NSC 65647, p-propyl-phenol, EINECS 211-446-2, UNII-H27VG833JY, BRN 1363429, H27VG833JY, Phenol, p-propyl-,, DTXSID9022100, PROPYLPHENOL, P-, NSC-65647, 1-Hydroxy-4-propylbenzene, DTXCID402100, CHEBI:34434, FEMA 3649, 4-06-00-03181 (Beilstein Handbook Reference), 4-propylphenol, potassium, pPropylphenol, 4nPropylphenol, Phenol, ppropyl, Phenol, 4propyl, p-hydroxyphenylpropane, 1Hydroxy4npropylbenzene, Hydroxypropylbenzene, p, 4-Propylphenol, 99%, 1(4Hydroxyphenyl)propane, 1-(4-Hydroxyphenyl)propane, SCHEMBL52058, BIDD:ER0185, CHEMBL35297, SCHEMBL1375534, 4-Propylphenol, >=97%, FG, NSC65647, Tox21_302642, AKOS009159302, CS-W018327, NCGC00256748-01, CAS-645-56-7, SY036793, TS-01760, NS00022621, P0698, EN300-64291, F16572, Q27116062, Z384970614 |
|---|---|
| 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 | CCCcccccc6))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Flavouring ingredient |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 82.7 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-propylphenol |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.2 |
| Superclass | Benzenoids |
| Subclass | Phenylpropanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | KLSLBUSXWBJMEC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Synonyms | 1-(4-Hydroxyphenyl)propane, 1-Hydroxy-4-n-propylbenzene, 1-Hydroxy-4-propylbenzene, 4-n-Propylphenol, 4-Propylphenol, potassium, Dihydrochavicol, FEMA 3649, p-Hydroxypropylbenzene, p-n-Propylphenol, P-Propyl-phenol, p-Propylphenol, 4-Propyl-phenol, 1-Hydroxy-4-N-propylbenzene, 4-N-Propylphenol, P-Hydroxypropylbenzene, P-N-Propylphenol, P-Propylphenol, p-hydroxyphenylpropane |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 4-Propylphenol |
| Kingdom | Organic compounds |
| Exact Mass | 136.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 136.19 |
| 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/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3 |
| Smiles | CCCC1=CC=C(C=C1)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenylpropanes |
- 1. Outgoing r'ship
FOUND_INto/from Cajanus Cajan (Plant) Rel Props:Reference:ISBN:9788172362089 - 2. Outgoing r'ship
FOUND_INto/from Ipomoea Carnea (Plant) Rel Props:Reference:ISBN:9788185042145