Chemical ID: 7089194

CCOc1cccc(c1)c2ccc(cc2)CC(=O)O
Chemical ID:
7089194
Name [?]:
2-[4-(3-ethoxyphenyl)phenyl]acetic acid
SMILES [?]:
CCOc1cccc(c1)c2ccc(cc2)CC(=O)O
InChi [?]:
InChI=1/C16H16O3/c1-2-19-15-5-3-4-14(11-15)13-8-6-12(7-9-13)10-16(17)18/h3-9,11H,2,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,12,14,11,15,16,9,13,10,8,4,17,18,19,3/E:(6,7)(8,9)(17,18)/rA:19nCCOCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O3
All Atoms:35
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.02284
Area:464.217
Solvation:-3.58257
Coulombic:-35.0264
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:256.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.73
LogP (Chemaxon):3.45

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