methyl 8-(benzyloxy)-4-(2-hydroxyethyl)naphthalene-2-carboxylate

methyl 8-(benzyloxy)-4-(2-hydroxyethyl)naphthalene-2-carboxylate

CAS: 144003-49-6

Formula: C21H20O4

SMILES: COC(=O)C1=CC2=C(OCC3=CC=CC=C3)C=CC=C2C(CCO)=C1

IUPAC: methyl 8-(benzyloxy)-4-(2-hydroxyethyl)naphthalene-2-carboxylate

InChI: InChI=1S/C21H20O4/c1-24-21(23)17-12-16(10-11-22)18-8-5-9-20(19(18)13-17)25-14-15-6-3-2-4-7-15/h2-9,12-13,22H,10-11,14H2,1H3

Composition: C (74.98%), H (5.99%), O (19.02%)

Molar Mass: 336.387

Atom Count: 45

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	336.136159124
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RPPVDQKYAZQTQN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.18
Topological Polar Surface Area	55.76
Polarizability	38.6
Ring Count	3
Rotatable Bond Count	7

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90%	<2 Days	144003-49-6		$51.35-$524.40$51.35$63.37$86.31$524.40