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Chemical ID: 6847314

Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCC(=O)c4ccc(c(c4)OC)OC

Chemical ID:

6847314

Name [?]:

3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethoxy]-5,7-dimethyl-2-(p-tolyl)chromen-4-one

SMILES [?]:

Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCC(=O)c4ccc(c(c4)OC)OC

InChi [?]:

InChI=1/C28H26O6/c1-16-6-8-19(9-7-16)27-28(26(30)25-18(3)12-17(2)13-24(25)34-27)33-15-21(29)20-10-11-22(31-4)23(14-20)32-5/h6-14H,15H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,19,20,34,32,3,7,4,6,26,27,14,16,30,22,2,15,13,5,25,23,28,29,17,12,10,8,9,24,11,33,31,21,18/E:(6,7)(8,9)/rA:34nCCCCCCCCCCOCCCCCCOCCOCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s15;s13;s9;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;s31;s28;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₆O₆
All Atoms:	60
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	9.30591
Area:	694.51
Solvation:	-8.05684
Coulombic:	-48.2233

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	458.502
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.07
LogP (Chemaxon):	5.33

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value