Chemical ID: 4956466

CCC(c1ccc(cc1)c2ccccc2)C(=O)O
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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Descriptor Annotations

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