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Chemical ID: 4956466
Chemical ID:
4956466
Name [?]:
2-(4-phenylphenyl)butanoic acid
SMILES [?]:
CCC(c1ccc(cc1)c2ccccc2)C(=O)O
InChi [?]:
InChI=1/C16H16O2/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,14,11,15,6,8,5,9,10,7,4,3,16,17,18/E:(4,5)(6,7)(8,9)(10,11)(17,18)/rA:18cCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;d10s14;s3;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.8862 |
Area: | 436.774 |
Solvation: | -2.03313 |
Coulombic: | -29.9634 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 240.297 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.17 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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