4-(4-cyclohexylphenyl)-2-(cyclohexylsulfanyl)-4-oxobutanoic acid

4-(4-cyclohexylphenyl)-2-(cyclohexylsulfanyl)-4-oxobutanoic acid

CAS: 301193-82-8

Formula: C22H30O3S

SMILES: OC(=O)C(CC(=O)C1=CC=C(C=C1)C1CCCCC1)SC1CCCCC1

IUPAC: 4-(4-cyclohexylphenyl)-2-(cyclohexylsulfanyl)-4-oxobutanoic acid

InChI: InChI=1/C22H30O3S/c23-20(15-21(22(24)25)26-19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h11-14,16,19,21H,1-10,15H2,(H,24,25)

Composition: C (70.55%), H (8.07%), O (12.81%), S (8.56%)

Molar Mass: 374.54

Atom Count: 56

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	374.191566
Formal Charge	0
FSP3	0.64
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QJCXHBFXQPPRAG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	106.77
Topological Polar Surface Area	54.37
Polarizability	41.88
Ring Count	3
Rotatable Bond Count	7

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