Chemical ID: 6486175

CC(C)(C)c1ccc(cc1)C(=O)Oc2ccc(cc2)C=CC(=O)c3ccccc3
Chemical ID:
6486175
Name [?]:
[4-(3-oxo-3-phenyl-prop-1-enyl)phenyl] 4-tert-butylbenzoate
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Oc2ccc(cc2)C=CC(=O)c3ccccc3
InChi [?]:
InChI=1/C26H24O3/c1-26(2,3)22-14-12-21(13-15-22)25(28)29-23-16-9-19(10-17-23)11-18-24(27)20-7-5-4-6-8-20/h4-18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,27,26,28,25,29,16,18,20,7,9,6,10,15,19,21,17,24,8,5,14,22,11,2,23,12,13/E:(1,2,3)(5,6)(7,8)(9,10)(12,13)(14,15)(16,17)/rA:29nCCCCCCCCCCCOOCCCCCCCCCOCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.9884
Area:633.967
Solvation:-2.86076
Coulombic:-32.926
Bond Count [?]
All:31
Single:19
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:384.467
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.17
LogP (Chemaxon):6.87

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Descriptor Annotations

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