methyl (2S,4S)-4-(4-phenoxyphenoxy)pyrrolidine-2-carboxylate

methyl (2S,4S)-4-(4-phenoxyphenoxy)pyrrolidine-2-carboxylate

CAS: 1217630-77-7

Formula: C18H19NO4

SMILES: COC(=O)[C@@H]1C[C@@H](CN1)OC1=CC=C(OC2=CC=CC=C2)C=C1

IUPAC: methyl (2S,4S)-4-(4-phenoxyphenoxy)pyrrolidine-2-carboxylate

InChI: InChI=1S/C18H19NO4/c1-21-18(20)17-11-16(12-19-17)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,16-17,19H,11-12H2,1H3/t16-,17-/m0/s1

Composition: C (69.00%), H (6.11%), N (4.47%), O (20.42%)

Molar Mass: 313.353

Atom Count: 42

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	313.131408096
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZWCLZCMRVUPRJD-IRXDYDNUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.65
Topological Polar Surface Area	56.79
Polarizability	33.94
Ring Count	3
Rotatable Bond Count	6

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