Chemical ID: 7150409

COc1cc(cc(c1OC(=O)c2ccc(cc2)Cl)CC=C)C=O
Chemical ID:
7150409
Name [?]:
(2-allyl-4-formyl-6-methoxy-phenyl) 4-chlorobenzoate
SMILES [?]:
COc1cc(cc(c1OC(=O)c2ccc(cc2)Cl)CC=C)C=O
InChi [?]:
InChI=1/C18H15ClO4/c1-3-4-14-9-12(11-20)10-16(22-2)17(14)23-18(21)13-5-7-15(19)8-6-13/h3,5-11H,1,4H2,2H3
InChi Info:
AuxInfo=1/0/N:21,1,20,19,13,17,14,16,6,4,22,5,12,7,15,3,8,10,18,23,11,2,9/E:(5,6)(7,8)/rA:23nCOCCCCCCOCOCCCCCCClCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s7;s19;d20;s5;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClO4
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.35051
Area:545.738
Solvation:-4.29293
Coulombic:-37.1896
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:330.762
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.57
LogP (Chemaxon):4.26

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