Chemical ID: 5572800

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=CC(=O)c3ccccc3
Chemical ID:
5572800
Name [?]:
[4-(3-oxo-3-phenyl-prop-1-enyl)phenyl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=CC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H18O4/c1-26-20-14-10-19(11-15-20)23(25)27-21-12-7-17(8-13-21)9-16-22(24)18-5-3-2-4-6-18/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,23,27,14,16,18,5,7,13,17,4,8,19,15,22,6,3,12,20,9,21,10,2,11/E:(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)/rA:27nCOCCCCCCCOOCCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;w18;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4917
Area:589.237
Solvation:-4.23927
Coulombic:-38.2609
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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