tert-butyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate

tert-butyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate

CAS: 114772-36-0

Formula: C18H20O2

SMILES: CC1=CC=C(C=C1)C1=CC=CC=C1C(=O)OC(C)(C)C

IUPAC: tert-butyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate

InChI: InChI=1S/C18H20O2/c1-13-9-11-14(12-10-13)15-7-5-6-8-16(15)17(19)20-18(2,3)4/h5-12H,1-4H3

Composition: C (80.56%), H (7.51%), O (11.92%)

Molar Mass: 268.356

Atom Count: 40

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	268.146329884
Formal Charge	0
FSP3	0.28
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OWEDFWZJRNPJIV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	82.07
Topological Polar Surface Area	26.3
Polarizability	33.07
Ring Count	2
Rotatable Bond Count	4

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