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Chemical ID: 7341048

Cc1c2ccc(cc2oc(=O)c1c3ccc(c(c3)OC)OC)OCC(=O)c4ccc(cc4)OC

Chemical ID:

7341048

Name [?]:

3-(3,4-dimethoxyphenyl)-7-[2-(4-methoxyphenyl)-2-oxo-ethoxy]-4-methyl-chromen-2-one

SMILES [?]:

Cc1c2ccc(cc2oc(=O)c1c3ccc(c(c3)OC)OC)OCC(=O)c4ccc(cc4)OC

InChi [?]:

InChI=1/C27H24O7/c1-16-21-11-10-20(33-15-22(28)17-5-8-19(30-2)9-6-17)14-24(21)34-27(29)26(16)18-7-12-23(31-3)25(13-18)32-4/h5-14H,15H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,34,22,20,28,32,14,29,31,5,4,15,18,7,24,2,27,13,30,6,3,25,16,8,17,12,10,26,11,33,21,19,23,9/E:(5,6)(8,9)/rA:34nCCCCCCCCOCOCCCCCCCOCOCOCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d2s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s6;s23;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄O₇
All Atoms:	58
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	7.03901
Area:	697.001
Solvation:	-10.386
Coulombic:	-54.8153

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	460.475
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.7
LogP (Chemaxon):	4.32

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