(2E)-3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one

(2E)-3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one

CAS: 178445-80-2

Formula: C17H16O4

SMILES: COC1=C(OC)C=C(C=CC(=O)C2=CC(O)=CC=C2)C=C1

IUPAC: (2E)-3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one

InChI: InChI=1S/C17H16O4/c1-20-16-9-7-12(10-17(16)21-2)6-8-15(19)13-4-3-5-14(18)11-13/h3-11,18H,1-2H3/b8-6+

Composition: C (71.82%), H (5.67%), O (22.51%)

Molar Mass: 284.311

Atom Count: 37

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	284.104858995
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	INUGQAHOPUVTAQ-SOFGYWHQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.78
Topological Polar Surface Area	55.76
Polarizability	30.89
Ring Count	2
Rotatable Bond Count	5

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