Chemical ID: 5672633

Cc1cc2c(cc1C(C)C)c(cc(=O)o2)COC(=O)COc3ccccc3
Chemical ID:
5672633
Name [?]:
(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-phenoxyacetate
SMILES [?]:
Cc1cc2c(cc1C(C)C)c(cc(=O)o2)COC(=O)COc3ccccc3
InChi [?]:
InChI=1/C22H22O5/c1-14(2)18-11-19-16(10-21(23)27-20(19)9-15(18)3)12-26-22(24)13-25-17-7-5-4-6-8-17/h4-11,14H,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:9,10,1,25,24,26,23,27,3,12,6,16,20,8,2,11,22,7,5,4,13,18,14,19,21,17,15/E:(1,2)(5,6)(7,8)/rA:27nCCCCCCCCCCCCCOOCOCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s5;d11;s12;d13;s4s13;s11;s16;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5606
Area:607.02
Solvation:-4.61488
Coulombic:-47.1235
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.407
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.86
LogP (Chemaxon):4.87

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Descriptor Annotations

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