Chemical ID: 4951275

CC(=O)Oc1ccc(cc1)C(C)(C)c2ccccc2
Chemical ID:
4951275
Name [?]:
[4-(1-methyl-1-phenyl-ethyl)phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1)C(C)(C)c2ccccc2
InChi [?]:
InChI=1/C17H18O2/c1-13(18)19-16-11-9-15(10-12-16)17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,13,17,16,18,15,19,7,9,6,10,2,14,8,5,11,3,4/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:19nCCOOCCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s11;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.31173
Area:453.877
Solvation:-2.03519
Coulombic:-20.6498
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:5.12
LogP (Chemaxon):4.67

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Descriptor Annotations

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