Chemical ID: 6847277

Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OC(=O)c4ccco4
Chemical ID:
6847277
Name [?]:
[5,7-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl] furan-2-carboxylate
SMILES [?]:
Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OC(=O)c4ccco4
InChi [?]:
InChI=1/C23H18O5/c1-13-6-8-16(9-7-13)21-22(28-23(25)17-5-4-10-26-17)20(24)19-15(3)11-14(2)12-18(19)27-21/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,26,25,3,7,4,6,27,14,16,2,15,13,5,24,17,12,10,8,9,22,11,23,28,18,21/E:(6,7)(8,9)/rA:28nCCCCCCCCCCOCCCCCCOCCOCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s15;s13;s9;s21;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18O5
All Atoms:46
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0684
Area:572.637
Solvation:-3.24752
Coulombic:-47.2307
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:374.386
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.47
LogP (Chemaxon):5.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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