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Chemical ID: 4145246

Cc1cc(cc(c1)Oc2coc3cc(ccc3c2=O)OC(=O)CCc4ccccc4)C

Chemical ID:

4145246

Name [?]:

[3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 3-phenylpropanoate

SMILES [?]:

Cc1cc(cc(c1)Oc2coc3cc(ccc3c2=O)OC(=O)CCc4ccccc4)C

InChi [?]:

InChI=1/C26H22O5/c1-17-12-18(2)14-21(13-17)30-24-16-29-23-15-20(9-10-22(23)26(24)28)31-25(27)11-8-19-6-4-3-5-7-19/h3-7,9-10,12-16H,8,11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,31,28,27,29,26,30,24,15,16,23,3,7,5,13,10,2,4,25,14,6,17,12,9,21,18,22,19,11,8,20/E:(1,2)(4,5)(6,7)(13,14)(17,18)/rA:31nCCCCCCCOCCOCCCCCCCOOCOCCCCCCCCC/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;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6282
Area:	664.835
Solvation:	-3.99266
Coulombic:	-44.2409

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	414.45
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.84
LogP (Chemaxon):	6.27

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