4'-Methoxychalcone
PubChem CID: 641818
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| Compound Synonyms | 4'-Methoxychalcone, 959-23-9, 1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one, 1-(4-methoxyphenyl)-3-phenyl-2-propen-1-one, (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one, (2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one, 22966-19-4, 2-Propen-1-one, 1-(4-methoxyphenyl)-3-phenyl-, 4-Methoxyphenyl styryl ketone, NSC 37157, NSC-37157, BM45N45FIZ, CHEMBL34398, CHALCONE, 4'-METHOXY-, (E)-1-(4-Methoxy-phenyl)-3-phenyl-propenone, alpha-Styryl p-anisyl ketone, METHOXYCHALCONE, TRANS-4'-, .ALPHA.-STYRYL P-ANISYL KETONE, 1-(4-METHOXYPHENYL)-3-PHENYLPROPENONE, 1-(P-METHOXYPHENYL)-3-PHENYL-2-PROPEN-1-ONE, CCRIS 2231, EINECS 213-495-5, MFCD00008407, AI3-25493, DTXSID401034535, 1-(4-Methoxy-phenyl)-3-phenyl-propenone, 2-propen-1-one, 1-(4-methoxyphenyl)-3-phenyl-, (2E)-, Styryl p-anisyl ketone, ST059919, Spectrum5_000236, BSPBio_002861, SPECTRUM211475, MEGxp0_001883, ACon1_000177, CHEBI:174232, DTXCID001519062, DTXSID001238595, 4'-METHOXYCHALCONE [INCI], NSC37157, BDBM50141532, LMPK12120188, s5851, STK831846, AKOS001325034, CCG-214164, SDCCGMLS-0066535.P001, NCGC00095535-01, NCGC00095535-02, NCGC00095535-03, NCGC00095535-04, PD002123, TS-00699, HY-128400, CS-0099579, S10032, AB00375841-02, AF-961/00496034, E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one, SR-05000002481, 1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one (6), SR-05000002481-1, (2E)-1-(4-Methoxyphenyl)-3-phenyl-2-propen-1-one, BRD-K09233738-001-04-4, Q27274750, Z46053756, 213-495-5, InChI=1/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Description | Reported to occur in Citrus limon (lemon) (unsubstantiated). 4'-Methoxychalcone is found in lemon and citrus. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one |
| Nih Violation | False |
| Class | Linear 1,3-diarylpropanoids |
| Xlogp | 3.1 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Chalcones and dihydrochalcones |
| Molecular Formula | C16H14O2 |
| Inchi Key | KJHHAPASNNVTSN-KPKJPENVSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 4,4'-Dimethoxy-benzophenone, 4,4'-Dimethoxybenzophenone, 4'-Methoxychalcone, Benzophenone, 4,4'-dimethoxy-, Bis(4-methoxyphenyl)-methanone, bis(4-methoxyphenyl)methanone, Bis(p-methoxy)benzophenone, Methanone, bis(4-methoxyphenyl)-, P,p'-dimethoxybenzophenone |
| Substituent Name | Retrochalcone, Cinnamic acid or derivatives, Acetophenone, Methoxybenzene, Aryl ketone, Styrene, Phenol ether, Benzoyl, Anisole, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Alpha,beta-unsaturated ketone, Enone, Acryloyl-group, Ketone, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | 4'-Methoxychalcone |
| Kingdom | Organic compounds |
| Exact Mass | 238.099 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 238.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+ |
| Smiles | COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all