Chemical ID: 5633592

Cc1cc2c(cc1C(C)C)c(cc(=O)o2)COC(=O)c3ccc(cc3)CO
Chemical ID:
5633592
Name [?]:
(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-(hydroxymethyl)benzoate
SMILES [?]:
Cc1cc2c(cc1C(C)C)c(cc(=O)o2)COC(=O)c3ccc(cc3)CO
InChi [?]:
InChI=1/C22H22O5/c1-13(2)18-10-19-17(9-21(24)27-20(19)8-14(18)3)12-26-22(25)16-6-4-15(11-23)5-7-16/h4-10,13,23H,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:9,10,1,22,24,21,25,3,12,6,26,16,8,2,23,20,11,7,5,4,13,18,27,14,19,17,15/E:(1,2)(4,5)(6,7)/rA:27nCCCCCCCCCCCCCOOCOCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s5;d11;s12;d13;s4s13;s11;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8665
Area:603.775
Solvation:-4.22789
Coulombic:-57.0051
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.407
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.37
LogP (Chemaxon):4.56

Name Annotations

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Descriptor Annotations

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