3-(3,4-dimethoxyphenyl)-1-phenylprop-2-en-1-one

3-(3,4-dimethoxyphenyl)-1-phenylprop-2-en-1-one

CAS: 5416-71-7

Formula: C17H16O3

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

IUPAC: 3-(3,4-dimethoxyphenyl)-1-phenylprop-2-en-1-one

InChI: InChI=1S/C17H16O3/c1-19-16-11-9-13(12-17(16)20-2)8-10-15(18)14-6-4-3-5-7-14/h3-12H,1-2H3

Composition: C (76.10%), H (6.01%), O (17.89%)

Molar Mass: 268.312

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	268.109944375
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LSHZPTCZLWATBZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.8
Topological Polar Surface Area	35.53
Polarizability	30.29
Ring Count	2
Rotatable Bond Count	5

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