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Chemical ID: 6846952

Cc1ccc(cc1)c2c(c(=O)c3cc(cc(c3o2)C)C)OC(=O)CCOc4ccc(cc4)OC

Chemical ID:

6846952

Name [?]:

[6,8-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl] 3-(4-methoxyphenoxy)propanoate

SMILES [?]:

Cc1ccc(cc1)c2c(c(=O)c3cc(cc(c3o2)C)C)OC(=O)CCOc4ccc(cc4)OC

InChi [?]:

InChI=1/C28H26O6/c1-17-5-7-20(8-6-17)27-28(25(30)23-16-18(2)15-19(3)26(23)34-27)33-24(29)13-14-32-22-11-9-21(31-4)10-12-22/h5-12,15-16H,13-14H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,20,19,34,3,7,4,6,29,31,28,32,24,25,15,13,2,14,16,5,30,27,12,22,10,17,8,9,23,11,33,26,21,18/E:(5,6)(7,8)(9,10)(11,12)/rA:34nCCCCCCCCCCOCCCCCCOCCOCOCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s16;s14;s9;s21;d22;s22;s24;s25;s26;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.7998
Area:	709.572
Solvation:	-4.93954
Coulombic:	-51.9808

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	458.502
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.31
LogP (Chemaxon):	5.95

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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