Chemical ID: 6486258

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=CC(=O)c3ccc(cc3)OC
Chemical ID:
6486258
Name [?]:
[4-[3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=CC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C24H20O4/c1-17-3-8-20(9-4-17)24(26)28-22-12-5-18(6-13-22)7-16-23(25)19-10-14-21(27-2)15-11-19/h3-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,3,7,13,15,17,4,6,22,26,12,16,23,25,18,2,14,21,5,24,11,19,8,20,9,27,10/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:28nCCCCCCCCOOCCCCCCCCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1578
Area:615.387
Solvation:-4.22689
Coulombic:-38.1214
Bond Count [?]
All:30
Single:18
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:372.413
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.7
LogP (Chemaxon):5.46

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Descriptor Annotations

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