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Chemical ID: 5213964

Chemical ID:

5213964

Name [?]:

1-(2,4-dibenzyloxyphenyl)ethanone

SMILES [?]:

CC(=O)c1ccc(cc1OCc2ccccc2)OCc3ccccc3

InChi [?]:

InChI=1/C22H20O3/c1-17(23)21-13-12-20(24-15-18-8-4-2-5-9-18)14-22(21)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,23,15,22,24,14,16,21,25,13,17,6,5,8,19,11,2,20,12,7,4,9,3,18,10/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCCCCCCOCCCCCCCOCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s7;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀O₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.43345
Area:	571.939
Solvation:	-5.86504
Coulombic:	-23.9136

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	332.392
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.11
LogP (Chemaxon):	4.4

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value