Chemical ID: 4990609

CCOC(=O)C(C)(c1ccccc1)c2ccccc2
Chemical ID:
4990609
Name [?]:
ethyl 2,2-diphenylpropanoate
SMILES [?]:
CCOC(=O)C(C)(c1ccccc1)c2ccccc2
InChi [?]:
InChI=1/C17H18O2/c1-3-19-16(18)17(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,11,17,10,12,16,18,9,13,15,19,8,14,4,6,5,3/E:(4,5)(6,7,8,9)(10,11,12,13)(14,15)/rA:19nCCOCOCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;d8s12;s6;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.28199
Area:446.035
Solvation:-1.8689
Coulombic:-23.4121
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:254.324
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.57
LogP (Chemaxon):4.58

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Descriptor Annotations

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