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Chemical ID: 6839614

COc1ccc(cc1OC)c2c(c(=O)c3ccccc3o2)OC(=O)CCc4ccccc4

Chemical ID:

6839614

Name [?]:

[2-(3,4-dimethoxyphenyl)-4-oxo-chromen-3-yl] 3-phenylpropanoate

SMILES [?]:

COc1ccc(cc1OC)c2c(c(=O)c3ccccc3o2)OC(=O)CCc4ccccc4

InChi [?]:

InChI=1/C26H22O6/c1-29-21-14-13-18(16-22(21)30-2)25-26(24(28)19-10-6-7-11-20(19)31-25)32-23(27)15-12-17-8-4-3-5-9-17/h3-11,13-14,16H,12,15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,30,29,31,17,18,28,32,16,19,26,5,4,25,7,27,6,15,20,3,8,23,13,11,12,24,14,2,9,21,22/E:(4,5)(8,9)/rA:32nCOCCCCCCOCCCCOCCCCCCOOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;d13;s13;s15;d16;s17;d18;d15s19;s11s20;s12;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂O₆
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.287
Area:	664.567
Solvation:	-6.32717
Coulombic:	-51.7318

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	430.449
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.0
LogP (Chemaxon):	4.85

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