Name: Name:2-Propen-1-one, 1-[2-hydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-
Brand: Angene
SKU: AG002JB8
Rating: 90 (10 reviews)

2-Propen-1-one, 1-[2-hydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-

CAS No.:

20784-60-5

Catalog Number:

AG002JB8

Molecular Formula:

C21H22O4

Molecular Weight:

338.3970

Catalog Number:

AG002JB8

Chemical Name:

2-Propen-1-one, 1-[2-hydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-

CAS Number:

20784-60-5

Molecular Formula:

C21H22O4

Molecular Weight:

338.3970

MDL Number:

MFCD02183383

IUPAC Name:

(E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

InChI:

InChI=1S/C21H22O4/c1-14(2)4-8-16-12-18(20(24)13-21(16)25-3)19(23)11-7-15-5-9-17(22)10-6-15/h4-7,9-13,22,24H,8H2,1-3H3/b11-7+

InChI Key:

ZUGCRBMNFSAUOC-YRNVUSSQSA-N

SMILES:

COc1cc(O)c(cc1CC=C(C)C)C(=O)/C=C/c1ccc(cc1)O

Complexity:

484

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

338.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

338.403g/mol

Monoisotopic Mass:

338.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4