Chemical ID: 5280682

COc1ccc(c(c1)OC)C=CC(=O)c2ccc(cc2)OC(=O)c3ccccc3Cl
Chemical ID:
5280682
Name [?]:
[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 2-chlorobenzoate
SMILES [?]:
COc1ccc(c(c1)OC)C=CC(=O)c2ccc(cc2)OC(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C24H19ClO5/c1-28-19-13-9-17(23(15-19)29-2)10-14-22(26)16-7-11-18(12-8-16)30-24(27)20-5-3-4-6-21(20)25/h3-15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,26,27,25,28,16,20,5,11,17,19,4,12,8,15,6,18,3,24,29,13,7,22,30,14,23,2,9,21/E:(7,8)(11,12)/rA:30nCOCCCCCCOCCCCOCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19ClO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.7639
Area:646.235
Solvation:-5.39201
Coulombic:-44.6865
Bond Count [?]
All:32
Single:20
Double:12
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:422.857
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.8
LogP (Chemaxon):5.25

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Descriptor Annotations

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