COC1=CC=CC(=C1)CC(=O)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
이름: 5-(3-methoxyphenyl)-1,2-diphenylpentane-1,4-dione
SMILES: COC1=CC=CC(=C1)CC(=O)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Molecular Processing

Molecular formula
C24H22O3
Molecular weight
358.44
Exact mass
358.1569
XLogP
4.86
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
106.28

Supplementary Information

InChIKey: MLFOTHUBXNMTRL-UHFFFAOYSA-N
동의어
SCHEMBL11523069MLFOTHUBXNMTRL-UHFFFAOYSA-N1,2-diphenyl-4-m-anisylbutane-1,4-dione
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