1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one

PubChem CID: 5357488

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Compound Synonyms	2198-19-8, 1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one, 4,4'-dimethoxy-2'-hydroxychalcone, 1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, (E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, 2'-Hydroxy-4,4'-dimethoxychalcone, Isoliquiritigenin 4,4'-dimethyl ether, CHEMBL229907, NSC78638, MLS000438960, SCHEMBL634186, CHEBI:184704, OAAPAFSEMHJNTF-BJMVGYQFSA-N, 4,4'-Methoxy-2'-hydroxychalcone, HMS2206A19, BDBM50213232, CMLD3_000158, LMPK12120100, MFCD00098911, NSC 78638, NSC-78638, 2''-hydroxy-4,4''-dimethoxychalcone, AKOS002385545, AT41325, FD66388, NCGC00090537-01, SMR000112982, 4,4'-Dimethoxy-2'-hydroxychalcone, AldrichCPR, AE-641/01149036, 2-Hydroxy-4-methoxy-alpha-(p-methoxybenzylidene)acetophenone, (2E)-1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one #, (E)-1-(2-hydroxy-4-methoxy-phenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, 2-Propen-1-one, 1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC(CCC1CCCCC1)C1CCCCC1
Np Classifier Class	Chalcones
Deep Smiles	COcccccc6))/C=C/C=O)cccccc6O)))OC
Heavy Atom Count	21.0
Classyfire Class	Linear 1,3-diarylpropanoids
Scaffold Graph Node Level	OC(CCC1CCCCC1)C1CCCCC1
Classyfire Subclass	Chalcones and dihydrochalcones
Isotope Atom Count	0.0
Molecular Complexity	358.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P11511, P02545, Q16637, P33261, P10636, Q03164, P28482, P51450, P08684, Q16236, Q96QE3, Q9UNA4, P08659, Q9UNQ0, O75496, P63092, Q9NUW8, Q13148, P05067, Q03431, P15121, Q96GD4, Q12809, P05177, P11712, P10635
Iupac Name	(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Target Id	NPT483, NPT93, NPT213, NPT51, NPT282, NPT109, NPT1422, NPT78
Xlogp	4.0
Gsk 4 400 Rule	True
Molecular Formula	C17H16O4
Scaffold Graph Node Bond Level	O=C(C=Cc1ccccc1)c1ccccc1
Prediction Swissadme	0.0
Inchi Key	OAAPAFSEMHJNTF-BJMVGYQFSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.1176470588235294
Logs	-5.294
Rotatable Bond Count	5.0
Logd	3.389
Synonyms	2'-hydroxy-4,4'-dimethoxychalcone
Esol Class	Moderately soluble
Functional Groups	c/C=C/C(c)=O, cO, cOC
Compound Name	1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
Prediction Hob Swissadme	0.0
Exact Mass	284.105
Formal Charge	0.0
Monoisotopic Mass	284.105
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	284.31
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-4.2407853428571425
Inchi	InChI=1S/C17H16O4/c1-20-13-6-3-12(4-7-13)5-10-16(18)15-9-8-14(21-2)11-17(15)19/h3-11,19H,1-2H3/b10-5+
Smiles	COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)O
Nring	2.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Np Classifier Superclass	Flavonoids

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1-(2-Hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one

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Phytochemical Properties

Associated Connections 91

Plant Connections 91