4-Methoxybenzophenone
PubChem CID: 69146
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| Compound Synonyms | 4-Methoxybenzophenone, 611-94-9, (4-Methoxyphenyl)(phenyl)methanone, p-Methoxybenzophenone, Methanone, (4-methoxyphenyl)phenyl-, Benzophenone, 4-methoxy-, Phenyl p-anisyl ketone, 4-Benzoylanisole, (4-Methoxyphenyl)phenylmethanone, MFCD00008403, (4-methoxyphenyl)-phenylmethanone, p-methoxy benzophenone, p-Methoxybenzyl phenyl ketone, NSC 2194, EINECS 210-285-5, UNII-I4XJ07373M, AI3-00785, I4XJ07373M, NSC-2194, CHEMBL198085, DTXSID00209995, ChemDiv3_000362, SCHEMBL50261, 4-Methoxybenzophenone, 97%, cid_69146, MLS000720066, DTXCID50132486, NSC2194, HMS1474A10, HMS2592M22, BBL023540, BDBM50174205, STL286831, Benzophenone, 4-methoxy-(6CI,8CI), (4-Methoxyphenyl)(phenyl)methanone #, AKOS000120669, CS-W015010, PS-7987, NCGC00175648-01, AC-12233, FB137947, SMR000304595, SY015494, DB-053808, M0357, NS00004550, EN300-16137, AB00614512-07, AF-753/00317053, SR-01000397672, SR-01000397672-1, BRD-K76902650-001-01-2, Q27280450, Z53836180, 210-285-5 |
|---|---|
| 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 | CC(C1CCCCC1)C1CCCCC1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | COcccccc6))C=O)cccccc6 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | OC(C1CCCCC1)C1CCCCC1 |
| Classyfire Subclass | Benzophenones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 223.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-methoxyphenyl)-phenylmethanone |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H12O2 |
| Scaffold Graph Node Bond Level | O=C(c1ccccc1)c1ccccc1 |
| Inchi Key | SWFHGTMLYIBPPA-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | p-methoxybenzophenone |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O, cOC |
| Compound Name | 4-Methoxybenzophenone |
| Exact Mass | 212.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 212.24 |
| 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/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3 |
| Smiles | COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Cheilocostus Speciosus (Plant) Rel Props:Reference:ISBN:9788172362133