6-[2-(prop-2-yn-1-yloxy)phenyl]hexanoic acid

6-[2-(prop-2-yn-1-yloxy)phenyl]hexanoic acid

CAS: 206052-01-9

Formula: C15H18O3

SMILES: OC(=O)CCCCCC1=CC=CC=C1OCC#C

IUPAC: 6-[2-(prop-2-yn-1-yloxy)phenyl]hexanoic acid

InChI: InChI=1S/C15H18O3/c1-2-12-18-14-10-7-6-9-13(14)8-4-3-5-11-15(16)17/h1,6-7,9-10H,3-5,8,11-12H2,(H,16,17)

Composition: C (73.15%), H (7.37%), O (19.49%)

Molar Mass: 246.306

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	246.12559444
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CUNYTKVXYZYERK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.81
Topological Polar Surface Area	46.53
Polarizability	26.91
Ring Count	1
Rotatable Bond Count	8

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