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Chemical ID: 7089194
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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