methyl 5-(benzyloxy)-2-methyl-1H-indole-3-carboxylate

methyl 5-(benzyloxy)-2-methyl-1H-indole-3-carboxylate

CAS: 1671064-19-9

Formula: C18H17NO3

SMILES: COC(=O)C1=C(C)NC2=CC=C(OCC3=CC=CC=C3)C=C12

IUPAC: methyl 5-(benzyloxy)-2-methyl-1H-indole-3-carboxylate

InChI: InChI=1S/C18H17NO3/c1-12-17(18(20)21-2)15-10-14(8-9-16(15)19-12)22-11-13-6-4-3-5-7-13/h3-10,19H,11H2,1-2H3

Composition: C (73.20%), H (5.80%), N (4.74%), O (16.25%)

Molar Mass: 295.338

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	295.120843411
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ISYIFHKUOVGYJP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.4
Topological Polar Surface Area	51.32
Polarizability	33.85
Ring Count	3
Rotatable Bond Count	5

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