tert-butyl 2-{3-[3-(3,4-dimethoxyphenyl)propanoyl]phenoxy}acetate

tert-butyl 2-{3-[3-(3,4-dimethoxyphenyl)propanoyl]phenoxy}acetate

CAS: 178445-86-8

Formula: C23H28O6

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

IUPAC: tert-butyl 2-{3-[3-(3,4-dimethoxyphenyl)propanoyl]phenoxy}acetate

InChI: InChI=1S/C23H28O6/c1-23(2,3)29-22(25)15-28-18-8-6-7-17(14-18)19(24)11-9-16-10-12-20(26-4)21(13-16)27-5/h6-8,10,12-14H,9,11,15H2,1-5H3

Composition: C (68.98%), H (7.05%), O (23.97%)

Molar Mass: 400.471

Atom Count: 57

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	400.188588622
Formal Charge	0
FSP3	0.39
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	ALZNWMXUAQSCSA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.83
Topological Polar Surface Area	71.06
Polarizability	43.03
Ring Count	2
Rotatable Bond Count	11

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Kinentia Biosciences LLC

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