ethyl 4-{2-[4-(ethoxycarbonyl)phenyl]ethynyl}benzoate

ethyl 4-{2-[4-(ethoxycarbonyl)phenyl]ethynyl}benzoate

CAS: 83536-13-4

Formula: C20H18O4

SMILES: CCOC(=O)C1=CC=C(C=C1)C#CC1=CC=C(C=C1)C(=O)OCC

IUPAC: ethyl 4-{2-[4-(ethoxycarbonyl)phenyl]ethynyl}benzoate

InChI: InChI=1S/C20H18O4/c1-3-23-19(21)17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)20(22)24-4-2/h7-14H,3-4H2,1-2H3

Composition: C (74.52%), H (5.63%), O (19.85%)

Molar Mass: 322.36

Atom Count: 42

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	322.12050906
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FEJKRXHSQAVDMJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.44
Topological Polar Surface Area	52.6
Polarizability	35.01
Ring Count	2
Rotatable Bond Count	8

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