Chemical ID: 6653030

COc1cc(cc2c1OC(O2)(c3ccccc3)c4ccccc4)C(=O)OC
Chemical ID:
6653030
Name [?]:
methyl 7-methoxy-2,2-diphenyl-benzo[1,3]dioxole-5-carboxylate
SMILES [?]:
COc1cc(cc2c1OC(O2)(c3ccccc3)c4ccccc4)C(=O)OC
InChi [?]:
InChI=1/C22H18O5/c1-24-18-13-15(21(23)25-2)14-19-20(18)27-22(26-19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,15,21,14,16,20,22,13,17,19,23,4,6,5,12,18,3,7,8,24,10,25,2,26,11,9/E:(3,4)(5,6,7,8)(9,10,11,12)(16,17)/rA:27nCOCCCCCCOCOCCCCCCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7s10;s10;s12;d13;s14;d15;d12s16;s10;s18;d19;s20;d21;d18s22;s5;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.0186
Area:568.667
Solvation:-4.19802
Coulombic:-49.1493
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:362.375
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.01
LogP (Chemaxon):5.13

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Descriptor Annotations

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