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Chemical ID: 6847028

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)CCOc4ccccc4)C

Chemical ID:

6847028

Name [?]:

[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl] 3-phenoxypropanoate

SMILES [?]:

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)CCOc4ccccc4)C

InChi [?]:

InChI=1/C27H24O6/c1-17-15-18(2)25-22(16-17)24(29)27(26(33-25)19-9-11-20(30-3)12-10-19)32-23(28)13-14-31-21-7-5-4-6-8-21/h4-12,15-16H,13-14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,33,20,30,29,31,28,32,14,18,15,17,24,25,3,7,2,4,13,16,27,6,22,8,5,11,10,23,9,19,26,21,12/E:(5,6)(7,8)(9,10)(11,12)/rA:33nCCCCCCCCOCCOCCCCCCOCOCOCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;d22;s22;s24;s25;s26;s27;d28;s29;d30;d27s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.1404
Area:	685.42
Solvation:	-4.99506
Coulombic:	-52.3064

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	444.476
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.88
LogP (Chemaxon):	5.48

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