Chemical ID: 7150770

COc1cc(cc(c1OC(=O)c2cccc3c2cccc3)CC=C)C=O
Chemical ID:
7150770
Name [?]:
(2-allyl-4-formyl-6-methoxy-phenyl) naphthalene-1-carboxylate
SMILES [?]:
COc1cc(cc(c1OC(=O)c2cccc3c2cccc3)CC=C)C=O
InChi [?]:
InChI=1/C22H18O4/c1-3-7-17-12-15(14-23)13-20(25-2)21(17)26-22(24)19-11-6-9-16-8-4-5-10-18(16)19/h3-6,8-14H,1,7H2,2H3
InChi Info:
AuxInfo=1/0/N:24,1,23,20,19,14,22,21,15,18,13,6,4,25,5,16,7,17,12,3,8,10,26,11,2,9/rA:26nCOCCCCCCOCOCCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s7;s22;d23;s5;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18O4
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.70422
Area:561.823
Solvation:-4.34135
Coulombic:-38.1566
Bond Count [?]
All:28
Single:17
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:346.376
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.21
LogP (Chemaxon):4.75

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