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Chemical ID: 6879665

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)OCCc4ccccc4

Chemical ID:

6879665

Name [?]:

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

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)OCCc4ccccc4

InChi [?]:

InChI=1/C27H24O6/c1-18-8-13-23-22(16-18)25(29)27(26(33-23)20-9-11-21(30-2)12-10-20)32-17-24(28)31-15-14-19-6-4-3-5-7-19/h3-13,16H,14-15,17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,31,30,32,29,33,3,14,18,15,17,4,27,26,7,22,2,28,13,16,6,5,23,8,11,10,24,9,19,25,21,12/E:(4,5)(6,7)(9,10)(11,12)/rA:33nCCCCCCCCOCCOCCCCCCOCOCCOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;s22;d23;s23;s25;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄O₆
All Atoms:	57
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8718
Area:	699.689
Solvation:	-5.62039
Coulombic:	-54.6147

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	444.476
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.79
LogP (Chemaxon):	5.18

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