Chemical ID: 4899100

COc1ccc(cc1)C(=O)C=Cc2cccc(c2)OC(=O)C3CC3
Chemical ID:
4899100
Name [?]:
[3-[3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]phenyl] cyclopropanecarboxylate
SMILES [?]:
COc1ccc(cc1)C(=O)C=Cc2cccc(c2)OC(=O)C3CC3
InChi [?]:
InChI=1/C20H18O4/c1-23-17-10-8-15(9-11-17)19(21)12-5-14-3-2-4-18(13-14)24-20(22)16-6-7-16/h2-5,8-13,16H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,12,23,24,5,7,4,8,11,18,13,6,22,3,17,9,20,10,21,2,19/E:(6,7)(8,9)(10,11)/rA:24nCOCCCCCCCOCCCCCCCCOCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.10089
Area:544.262
Solvation:-4.50566
Coulombic:-34.8573
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:322.355
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.75
LogP (Chemaxon):3.95

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