3-(3,4-dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one

3-(3,4-dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one

CAS: 144506-15-0

Formula: C21H22O5

SMILES: COC1=C(C=CC(=O)C2=CC(CC=C(C)C)=C(O)C=C2)C=CC(O)=C1O

IUPAC: 3-(3,4-dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one

InChI: InChI=1S/C21H22O5/c1-13(2)4-5-15-12-16(8-10-18(15)23)17(22)9-6-14-7-11-19(24)20(25)21(14)26-3/h4,6-12,23-25H,5H2,1-3H3

Composition: C (71.17%), H (6.26%), O (22.57%)

Molar Mass: 354.402

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	354.146723808
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	RETRVWFVEFCGOK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.53
Topological Polar Surface Area	86.99
Polarizability	38.55
Ring Count	2
Rotatable Bond Count	6

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