AG00IAG2

58749-22-7 | 2-Propen-1-one,3-[5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)-, (2E)-

AG00IAG2

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CAS Number	58749-22-7
Catalog Number	AG00IAG2(AGN-PC-0SQJH7)
Chemical Name	2-Propen-1-one,3-[5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)-, (2E)-
IUPAC Name	(E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
InChI	InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
InChI Key	KAZSKMJFUPEHHW-DHZHZOJOSA-N
MDL Number	MFCD01417903
Molecular Formula	C21H22O4
Molecular Weight	338.3970
SMILES	O=C(C1=CC=C(O)C=C1)/C=C/C2=CC(C(C=C)(C)C)=C(O)C=C2OC
UNII	JTV5467968
Synonyms	3-dimethylallyl-4,4'-dihydroxy-6-methoxychalcone, licochalcone A, licochalcone a, 58749-22-7, Licochalcone-A, UNII-JTV5467968, 3-Dimethylallyl-4,4'-dihydroxy-6-methoxychalcone, CHEMBL139702, C21H22O4, JTV5467968, (E)-3-[5-(1,1-Dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)-2-propen-1-one, Licochalcone-A, Synthetic, Q-100677, (E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one, (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one, (E)-3-[5-(1,1-dimethylallyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one, 2-Propen-1-one, 3-(5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-, (E)-, LICOAGROCHACONE A, Licohalconel A, AC1NSXJH, SCHEMBL114042, CHEBI:125689, KAZSKMJFUPEHHW-DHZHZOJOSA-N, BCP08941, EBD46703, EX-A1193, HY-N0372, ZINC3873123, AN-276, BDBM50068270, HSCI1_000078, LMPK12120424, MFCD01417903, s7828, AKOS026673964, CCG-208030, CS-5603, Licochalcone A, >=96.0% (HPLC), AB0021119, LS-122598, V2343, 749L227, BRD-K99667445-001-01-4, (E)-3-[5-(1,1-Dimethyl-allyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxy-phenyl)-propenone, 3-[5-((E)-1,1-Dimethyl-allyl)-4-hydroxy-2-methoxy-phenyl]-1-(4-hydroxy-phenyl)-propenone, 4 inverted exclamation marka,4-Dihydroxy-3-|A,|A-dimethylallyl-6-methoxychalcone, (2E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one, (2E)-3-[5-(1,1-dimethylprop-2-en-1-yl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one, 2-Propen-1-one, 3-[5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)- (E)-, 2-Propen-1-one,3-[5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)-, (2E)-, D08GEN, ACN-047203, C21-H22-O4, CID5318998, C070840, (2E)-3-(5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-2-propen-1-one, 3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one,

Complexity	488
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	338.152g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	338.403g/mol
Monoisotopic Mass	338.152g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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