Chemical ID: 6661807

CC(C)(C)c1ccc(cc1)OC(=O)c2ccccc2
Chemical ID:
6661807
Name [?]:
(4-tert-butylphenyl) benzoate
SMILES [?]:
CC(C)(C)c1ccc(cc1)OC(=O)c2ccccc2
InChi [?]:
InChI=1/C17H18O2/c1-17(2,3)14-9-11-15(12-10-14)19-16(18)13-7-5-4-6-8-13/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,16,18,15,19,6,10,7,9,14,5,8,12,2,13,11/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:19nCCCCCCCCCCOCOCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.1608
Area:461.009
Solvation:-1.3644
Coulombic:-23.5268
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:254.324
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.34
LogP (Chemaxon):4.9

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Descriptor Annotations

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