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Chemical ID: 6879799

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)OCCc4ccccc4

Chemical ID:

6879799

Name [?]:

phenethyl 2-[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl]oxyacetate

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)OCCc4ccccc4

InChi [?]:

InChI=1/C24H20O6/c1-16-9-10-19-18(14-16)22(26)24(23(30-19)20-8-5-12-27-20)29-15-21(25)28-13-11-17-6-3-2-4-7-17/h2-10,12,14H,11,13,15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,28,27,29,15,26,30,14,3,4,24,16,23,7,19,2,25,6,5,13,20,8,11,10,21,9,17,22,18,12/E:(3,4)(6,7)/rA:30nCCCCCCCCOCCOCCCCOOCCOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀O₆
All Atoms:	50
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5159
Area:	638.417
Solvation:	-5.44453
Coulombic:	-53.3163

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	404.412
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.58
LogP (Chemaxon):	4.38

Name Annotations

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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