3-methyl-5-(2-methylpropoxy)phenylboronic acid

3-methyl-5-(2-methylpropoxy)phenylboronic acid

CAS: 1256345-77-3

Formula: C11H17BO3

SMILES: CC(C)COC1=CC(C)=CC(=C1)B(O)O

IUPAC: [3-methyl-5-(2-methylpropoxy)phenyl]boronic acid

InChI: InChI=1S/C11H17BO3/c1-8(2)7-15-11-5-9(3)4-10(6-11)12(13)14/h4-6,8,13-14H,7H2,1-3H3

Composition: C (63.50%), H (8.24%), B (5.20%), O (23.07%)

Molar Mass: 208.06

Atom Count: 32

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.127074
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LWOFDZQKQISDRY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.85
Topological Polar Surface Area	49.69
Polarizability	23.34
Ring Count	1
Rotatable Bond Count	4

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