ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate

ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate

CAS: 25960-25-2

Formula: C22H22O4

SMILES: CCOC(=O)C1C(CC(=CC1=O)C1=CC=C(OC)C=C1)C1=CC=CC=C1

IUPAC: ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate

InChI: InChI=1/C22H22O4/c1-3-26-22(24)21-19(16-7-5-4-6-8-16)13-17(14-20(21)23)15-9-11-18(25-2)12-10-15/h4-12,14,19,21H,3,13H2,1-2H3

Composition: C (75.41%), H (6.33%), O (18.26%)

Molar Mass: 350.414

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	350.151809188
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AEZUZXYVWGQRLK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.63
Topological Polar Surface Area	52.6
Polarizability	38.87
Ring Count	3
Rotatable Bond Count	6

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