Chemical ID: 6847254

Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)OC(C)C)c3ccccc3Cl)C
Chemical ID:
6847254
Name [?]:
isopropyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxyacetate
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)OC(C)C)c3ccccc3Cl)C
InChi [?]:
InChI=1/C22H21ClO5/c1-12(2)27-18(24)11-26-22-20(25)19-14(4)9-13(3)10-17(19)28-21(22)15-7-5-6-8-16(15)23/h5-10,12H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:19,20,1,28,23,24,22,25,3,7,14,18,2,4,21,26,6,15,5,11,9,10,27,16,12,13,17,8/E:(1,2)/rA:28nCCCCCCCOCCCOOCCOOCCCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s17;s18;s18;s9;s21;d22;s23;d24;d21s25;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21ClO5
All Atoms:49
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.2318
Area:603.954
Solvation:-3.86703
Coulombic:-46.6721
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:400.852
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.95
LogP (Chemaxon):5.15

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Descriptor Annotations

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