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Chemical ID: 6877857

Cc1ccc(c(c1)Oc2coc3cc(ccc3c2=O)OC(=O)COc4ccc(cc4)Cl)C

Chemical ID:

6877857

Name [?]:

[3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 2-(4-chlorophenoxy)acetate

SMILES [?]:

Cc1ccc(c(c1)Oc2coc3cc(ccc3c2=O)OC(=O)COc4ccc(cc4)Cl)C

InChi [?]:

InChI=1/C25H19ClO6/c1-15-3-4-16(2)21(11-15)32-23-13-30-22-12-19(9-10-20(22)25(23)28)31-24(27)14-29-18-7-5-17(26)6-8-18/h3-13H,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,32,3,4,27,29,26,30,15,16,7,13,10,23,2,5,28,25,14,17,6,12,9,21,18,31,22,19,24,11,20,8/E:(5,6)(7,8)/rA:32nCCCCCCCOCCOCCCCCCCOOCOCOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;s12;d13;s14;d15;d12s16;s9s17;d18;s14;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₉ClO₆
All Atoms:	51
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6851
Area:	683.745
Solvation:	-5.40851
Coulombic:	-51.8548

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	450.867
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.69
LogP (Chemaxon):	6.05

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