Chemical ID: 5688772

Cc1ccccc1C(=O)OCc2cc(=O)oc3c2cc(c(c3)C)C(C)C
Chemical ID:
5688772
Name [?]:
(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-methylbenzoate
SMILES [?]:
Cc1ccccc1C(=O)OCc2cc(=O)oc3c2cc(c(c3)C)C(C)C
InChi [?]:
InChI=1/C22H22O4/c1-13(2)18-11-19-16(10-21(23)26-20(19)9-15(18)4)12-25-22(24)17-8-6-5-7-14(17)3/h5-11,13H,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:25,26,1,23,4,5,3,6,22,13,19,11,24,2,21,12,7,20,18,17,14,8,15,9,10,16/E:(1,2)/rA:26nCCCCCCCCOOCCCCOOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;s14;s16;s12s17;d18;s19;d20;d17s21;s21;s20;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6713
Area:573.919
Solvation:-2.67665
Coulombic:-41.2446
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.408
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.62
LogP (Chemaxon):5.57

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Descriptor Annotations

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