Chemical ID: 4401299

Cc1ccccc1C(=O)Oc2cc(ccc2C(=O)C=Cc3ccccc3F)OC
Chemical ID:
4401299
Name [?]:
[2-[3-(2-fluorophenyl)prop-2-enoyl]-5-methoxy-phenyl] 2-methylbenzoate
SMILES [?]:
Cc1ccccc1C(=O)Oc2cc(ccc2C(=O)C=Cc3ccccc3F)OC
InChi [?]:
InChI=1/C24H19FO4/c1-16-7-3-5-9-19(16)24(27)29-23-15-18(28-2)12-13-20(23)22(26)14-11-17-8-4-6-10-21(17)25/h3-15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,4,23,5,24,3,22,6,25,20,14,15,19,12,2,21,13,7,16,26,17,11,8,27,18,9,28,10/rA:29nCCCCCCCCOOCCCCCCCOCCCCCCCCFOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;w19;s20;s21;d22;s23;d24;d21s25;s26;s13;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19FO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.40465
Area:573.538
Solvation:-4.9338
Coulombic:-41.4182
Bond Count [?]
All:31
Single:19
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:390.404
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.86
LogP (Chemaxon):5.6

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