Chemical ID: 4826334

COc1ccc(cc1)C(=O)Oc2ccc(cc2C(=O)C=Cc3ccc(c(c3)OC)OC)F
Chemical ID:
4826334
Name [?]:
[2-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-fluoro-phenyl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc(cc2C(=O)C=Cc3ccc(c(c3)OC)OC)F
InChi [?]:
InChI=1/C25H21FO6/c1-29-19-9-6-17(7-10-19)25(28)32-22-13-8-18(26)15-20(22)21(27)11-4-16-5-12-23(30-2)24(14-16)31-3/h4-15H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,29,21,23,5,7,14,4,8,20,24,13,27,16,22,6,15,3,17,18,12,25,26,9,32,19,10,2,30,28,11/E:(6,7)(9,10)/rA:32nCOCCCCCCCOOCCCCCCCOCCCCCCCCOCOCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;w20;s21;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H21FO6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:6.90488
Area:616.44
Solvation:-8.50612
Coulombic:-52.6799
Bond Count [?]
All:34
Single:22
Double:12
Rotors:9
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:436.429
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.99
LogP (Chemaxon):4.62

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Descriptor Annotations

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