Chemical ID: 5566804

c1ccc(cc1)C2(CCC(CC2)(C#CC(=O)O)O)c3ccccc3
Chemical ID:
5566804
Name [?]:
3-(1-hydroxy-4,4-diphenyl-cyclohexyl)prop-2-ynoic acid
SMILES [?]:
c1ccc(cc1)C2(CCC(CC2)(C#CC(=O)O)O)c3ccccc3
InChi [?]:
InChI=1/C21H20O3/c22-19(23)11-12-20(24)13-15-21(16-14-20,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,24H,13-16H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,22,2,6,21,23,3,5,20,24,14,13,9,11,8,12,4,19,15,10,7,16,17,18/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(15,16)(17,18)(22,23)/rA:24nCCCCCCCCCCCCCCCOOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;t13;s14;d15;s15;s10;s7;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.66169
Area:495.811
Solvation:-2.7336
Coulombic:-50.6323
Bond Count [?]
All:26
Single:18
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:320.382
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.41
LogP (Chemaxon):4.63

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