Chemical ID: 4112043

COc1ccccc1C=CC(=O)c2cc(ccc2OC(=O)c3ccccc3)F
Chemical ID:
4112043
Name [?]:
[4-fluoro-2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] benzoate
SMILES [?]:
COc1ccccc1C=CC(=O)c2cc(ccc2OC(=O)c3ccccc3)F
InChi [?]:
InChI=1/C23H17FO4/c1-27-21-10-6-5-7-16(21)11-13-20(25)19-15-18(24)12-14-22(19)28-23(26)17-8-3-2-4-9-17/h2-15H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,6,5,7,23,27,4,9,16,10,17,14,8,22,15,13,11,3,18,20,28,12,21,2,19/E:(3,4)(8,9)/rA:28nCOCCCCCCCCCOCCCCCCOCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17FO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.05071
Area:561.587
Solvation:-4.98897
Coulombic:-40.8011
Bond Count [?]
All:30
Single:18
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:376.377
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.43
LogP (Chemaxon):5.13

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