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Chemical ID: 6656827

Cc1cc(c(cc1CCC(=O)c2cc(c(cc2O)OC)OC)OCc3ccccc3)OC

Chemical ID:

6656827

Name [?]:

3-(5-benzyloxy-4-methoxy-2-methyl-phenyl)-1-(2-hydroxy-4,5-dimethoxy-phenyl)-propan-1-one

SMILES [?]:

Cc1cc(c(cc1CCC(=O)c2cc(c(cc2O)OC)OC)OCc3ccccc3)OC

InChi [?]:

InChI=1/C26H28O6/c1-17-12-23(29-2)26(32-16-18-8-6-5-7-9-18)13-19(17)10-11-21(27)20-14-24(30-3)25(31-4)15-22(20)28/h5-9,12-15,28H,10-11,16H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,32,22,20,28,27,29,26,30,8,9,3,6,13,16,24,2,25,7,12,10,17,4,14,15,5,11,18,31,21,19,23/E:(6,7)(8,9)/rA:32nCCCCCCCCCCOCCCCCCOOCOCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s15;s19;s14;s21;s5;s23;s24;s25;d26;s27;d28;d25s29;s4;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₈O₆
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	6.90966
Area:	700.331
Solvation:	-10.5986
Coulombic:	-51.2078

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	436.497
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.85
LogP (Chemaxon):	5.2

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value