2-benzoyl-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enenitrile

2-benzoyl-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enenitrile

CAS: 144782-39-8

Formula: C24H27NO2

SMILES: CC(C)(C)C1=CC(C=C(C#N)C(=O)C2=CC=CC=C2)=CC(=C1O)C(C)(C)C

IUPAC: 2-benzoyl-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enenitrile

InChI: InChI=1S/C24H27NO2/c1-23(2,3)19-13-16(14-20(22(19)27)24(4,5)6)12-18(15-25)21(26)17-10-8-7-9-11-17/h7-14,27H,1-6H3

Composition: C (79.74%), H (7.53%), N (3.87%), O (8.85%)

Molar Mass: 361.485

Atom Count: 54

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	361.204179113
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JCSRLWWDNRVIFI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	111.24
Topological Polar Surface Area	61.09
Polarizability	42.14
Ring Count	2
Rotatable Bond Count	5

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