Chemical ID: 7039268

COc1cccc(c1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccccc3
Chemical ID:
7039268
Name [?]:
[4-(3-phenylprop-2-enoyl)phenyl] 3-methoxybenzoate
SMILES [?]:
COc1cccc(c1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccccc3
InChi [?]:
InChI=1/C23H18O4/c1-26-21-9-5-8-19(16-21)23(25)27-20-13-11-18(12-14-20)22(24)15-10-17-6-3-2-4-7-17/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,5,23,27,6,4,21,14,16,13,17,20,8,22,15,7,12,3,18,9,19,10,2,11/E:(3,4)(6,7)(11,12)(13,14)/rA:27nCOCCCCCCCOOCCCCCCCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;w20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18O4
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.019
Area:610.008
Solvation:-4.23116
Coulombic:-38.3965
Bond Count [?]
All:29
Single:17
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:358.387
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.26
LogP (Chemaxon):4.99

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