methyl 2-{4-[(1E)-2-(1H-pyrrol-2-yl)ethenyl]phenoxy}acetate

methyl 2-{4-[(1E)-2-(1H-pyrrol-2-yl)ethenyl]phenoxy}acetate

CAS: 150205-67-7

Formula: C15H15NO3

SMILES: COC(=O)COC1=CC=C(C=CC2=CC=CN2)C=C1

IUPAC: methyl 2-{4-[(1E)-2-(1H-pyrrol-2-yl)ethenyl]phenoxy}acetate

InChI: InChI=1S/C15H15NO3/c1-18-15(17)11-19-14-8-5-12(6-9-14)4-7-13-3-2-10-16-13/h2-10,16H,11H2,1H3/b7-4+

Composition: C (70.02%), H (5.88%), N (5.44%), O (18.65%)

Molar Mass: 257.289

Atom Count: 34

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	257.105193347
Formal Charge	0
FSP3	0.13
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MKHOUYKOJXYACI-QPJJXVBHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.47
Topological Polar Surface Area	51.32
Polarizability	28.03
Ring Count	2
Rotatable Bond Count	6

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