Chemical ID: 4451590

Cc1c(c(=O)c2ccc(cc2o1)OCC(=O)OC(C)(C)C)c3ccc(c(c3)OC)OC
Chemical ID:
4451590
Name [?]:
tert-butyl 2-[3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-chromen-7-yl]oxyacetate
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OCC(=O)OC(C)(C)C)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C24H26O7/c1-14-22(15-7-10-18(27-5)20(11-15)28-6)23(26)17-9-8-16(12-19(17)30-14)29-13-21(25)31-24(2,3)4/h7-12H,13H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,19,20,21,31,29,23,8,7,24,27,10,14,2,22,9,6,25,11,26,15,3,4,18,16,5,30,28,13,12,17/E:(2,3,4)/rA:31nCCCCOCCCCCCOOCCOOCCCCCCCCCCOCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s14;d15;s15;s17;s18;s18;s18;s3;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26O7
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.45387
Area:661.383
Solvation:-8.08071
Coulombic:-55.913
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:426.459
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.25
LogP (Chemaxon):3.52

Name Annotations

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Descriptor Annotations

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