4-Propanoylanisole
PubChem CID: 67144
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| Compound Synonyms | 4'-Methoxypropiophenone, 121-97-1, p-Methoxypropiophenone, 4-Methoxypropiophenone, 1-(4-methoxyphenyl)propan-1-one, 1-Propanone, 1-(4-methoxyphenyl)-, Propiophenone, 4'-methoxy-, Ethyl 4-methoxyphenyl ketone, 1-(4-Methoxyphenyl)-1-propanone, 4-Propanoylanisole, 1-(4-methoxy-phenyl)-propan-1-one, V4W5HX9O2D, EINECS 204-512-7, MFCD00009310, NSC 11834, NSC-11834, AI3-04094, DTXSID0059536, PROPIOPHENONE, P-METHOXY-, EC 204-512-7, ETHYL P-METHOXYPHENYL KETONE, 1-METHOXY-4-PROPANOYLBENZENE, 1-PROPANOYL-4-METHOXYBENZENE, 4'-Methoxypropiophenone, Ethyl 4-methoxyphenyl ketone, Ethyl p-methoxyphenyl ketone, NSC 11834, 1-(4-Methoxyphenyl)-1-propanone, 4-Propanoylanisole, Ethyl p-Methoxyphenyl Ketone, NSC 11834, , NSC11834, p-methoxy-propiophenone, para-methoxypropiophenone, 4'-methoxy propiophenone, 4\'-Methoxypropiophenone, UNII-V4W5HX9O2D, ghl.PD_Mitscher_leg0.581, SCHEMBL459470, CHEMBL444556, DTXCID9033682, 1(4-methoxyphenyl)-1-oxopropane, CHEBI:167420, 1-(4-methoxvphenyl)-1-propanone, 4'-Methoxypropiophenone, >=99%, Propiophenone, 4'-methoxy-(8CI), BCP14923, STL411987, AKOS000121514, CS-W020638, FM25350, PS-6126, M1719, NS00008667, EN300-16143, D91525, 4 inverted exclamation marka-Methoxypropiophenone, AB-131/40236160, Z53837063, F0001-0351, 1-(4-Methoxyphenyl)-1-propanone, 4-Propanoylanisole, Ethyl p-methoxyphenyl ketone, 204-512-7 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCC=O)cccccc6))OC |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-methoxyphenyl)propan-1-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | ZJVAWPKTWVFKHG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | para-methoxypropiophenone |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cOC |
| Compound Name | 4-Propanoylanisole |
| Exact Mass | 164.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 164.2 |
| Gi Absorption | True |
| 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/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3 |
| Smiles | CCC(=O)C1=CC=C(C=C1)OC |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1425640