Chemical ID: 7122828

CC(C)c1ccc(cc1)OCc2ccc(cc2)C(=O)[O-]
Chemical ID:
7122828
Name [?]:
4-[(4-isopropylphenoxy)methyl]benzoate
SMILES [?]:
CC(C)c1ccc(cc1)OCc2ccc(cc2)C(=O)[O-]
InChi [?]:
InChI=1/C17H18O3/c1-12(2)14-7-9-16(10-8-14)20-11-13-3-5-15(6-4-13)17(18)19/h3-10,12H,11H2,1-2H3,(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,13,17,14,16,5,9,6,8,11,2,12,4,15,7,18,19,20,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(18,19)/rA:20nCCCCCCCCCOCCCCCCCCOO-/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17O3-
All Atoms:37
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-32.6877
Area:487.668
Solvation:-44.8794
Coulombic:-9.99482
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:269.315
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.19
LogP (Chemaxon):4.28

Name Annotations

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Descriptor Annotations

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