4'-Methoxybutyrophenone
PubChem CID: 77810
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| Compound Synonyms | 4'-Methoxybutyrophenone, 1-(4-methoxyphenyl)butan-1-one, 4160-51-4, p-Methoxybutyrophenone, 4-Methoxybutyrophenone, 1-Butanone, 1-(4-methoxyphenyl)-, Butyrophenone, 4'-methoxy-, 1-(4-Methoxyphenyl)-1-butanone, AI3-23190, NSC 5615, EINECS 223-995-5, MFCD00027138, Z9TA5W7AWP, DTXSID50194423, NSC-5615, 4'-Methoxy-butyrophenone, UNII-Z9TA5W7AWP, SCHEMBL705208, DTXCID60116914, NSC5615, 1-(4-methoxyphenyl)-butan-1-one, 1-(4-Methoxyphenyl), butan-1-one, Butyrophenone, 4'-methoxy-(8CI), ALBB-005946, 1-(4-Methoxyphenyl)-1-butanone #, STK503638, AKOS004911124, AS-60212, FM117109, SY057784, DB-013271, CS-0039064, NS00031011, EN300-68888, W12412, Z385418282, 223-995-5 |
|---|---|
| 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 | CCCC=O)cccccc6))OC |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-methoxyphenyl)butan-1-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H14O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | JLCDSZXBELPBRD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 4-methoxybutyrophenone |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cOC |
| Compound Name | 4'-Methoxybutyrophenone |
| Exact Mass | 178.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 178.23 |
| 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/C11H14O2/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h5-8H,3-4H2,1-2H3 |
| Smiles | CCCC(=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 Persea Americana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699135