4-butoxy-2-methylphenylboronic acid

4-butoxy-2-methylphenylboronic acid

CAS: 845551-43-1

Formula: C11H17BO3

SMILES: CCCCOC1=CC=C(B(O)O)C(C)=C1

IUPAC: (4-butoxy-2-methylphenyl)boronic acid

InChI: InChI=1S/C11H17BO3/c1-3-4-7-15-10-5-6-11(12(13)14)9(2)8-10/h5-6,8,13-14H,3-4,7H2,1-2H3

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	CSHDCDLMFFZDJB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.98
Topological Polar Surface Area	49.69
Polarizability	23.34
Ring Count	1
Rotatable Bond Count	5

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