C1CC(CCC1=O)(C2=CC=CC=C2)C3=CC=CC=C3
CAS: 4528-68-1
Nombre: 4,4-diphenylcyclohexan-1-one
SMILES: C1CC(CCC1=O)(C2=CC=CC=C2)C3=CC=CC=C3

Molecular Processing

Molecular formula
C18H18O
Molecular weight
250.34
Exact mass
250.1358
XLogP
4.12
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
77.14

Supplementary Information

InChIKey: QJPHZZUBQAASNR-UHFFFAOYSA-N
Sinónimos
4,4-Diphenylcyclohexanone4528-68-14,4-diphenylcyclohexan-1-oneCyclohexanone, 4,4-diphenyl-NSC117554MLS000737490NSC-117554Cyclohexanone,4,4-diphenyl-Cyclohexanone,4-diphenyl-4,4-diphenyl-cyclohexanoneNCIStruc1_001950NCIStruc2_0008494,4 - DiphenylcyclohexanoneSCHEMBL743693CHEMBL1399066DTXSID90196461QJPHZZUBQAASNR-UHFFFAOYSA-NHMS2886O06CCG-38073NCGC00014191NCI117554AKOS000280878NSC 117554NCGC00014191-02NCGC00097300-01NCI60_000420SMR000528536E100232~2~,2~3~,2~5~,2~6~-Tetrahydro-2~4~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-2~4~-one
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