3-[4-(2-methoxyethyl)phenoxymethyl]phenylboronic acid

3-[4-(2-methoxyethyl)phenoxymethyl]phenylboronic acid

CAS: 871126-26-0

Formula: C16H19BO4

SMILES: COCCC1=CC=C(OCC2=CC=CC(=C2)B(O)O)C=C1

IUPAC: (3-{[4-(2-methoxyethyl)phenoxy]methyl}phenyl)boronic acid

InChI: InChI=1S/C16H19BO4/c1-20-10-9-13-5-7-16(8-6-13)21-12-14-3-2-4-15(11-14)17(18)19/h2-8,11,18-19H,9-10,12H2,1H3

Composition: C (67.16%), H (6.69%), B (3.78%), O (22.37%)

Molar Mass: 286.13

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	286.137639
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RABCYEGFKLWONK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78
Topological Polar Surface Area	58.92
Polarizability	31.78
Ring Count	2
Rotatable Bond Count	7

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