Chemical ID: 7039266

COc1ccccc1C(=O)Oc2ccccc2C=CC(=O)c3ccccc3
Chemical ID:
7039266
Name [?]:
[2-(3-oxo-3-phenyl-prop-1-enyl)phenyl] 2-methoxybenzoate
SMILES [?]:
COc1ccccc1C(=O)Oc2ccccc2C=CC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H18O4/c1-26-22-14-8-6-12-19(22)23(25)27-21-13-7-5-11-18(21)15-16-20(24)17-9-3-2-4-10-17/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,15,6,14,5,23,27,16,7,13,4,18,19,22,17,8,20,12,3,9,21,10,2,11/E:(3,4)(9,10)/rA:27nCOCCCCCCCOOCCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;w18;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18O4
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5397
Area:593.314
Solvation:-4.29317
Coulombic:-39.0748
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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Descriptor Annotations

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