Chemical ID: 5177722

Cc1ccc(cc1)C(C)(c2ccccc2)C(C)(CC=O)CC(=O)O
Chemical ID:
5177722
Name [?]:
3-methyl-3-(2-oxoethyl)-4-phenyl-4-(p-tolyl)pentanoic acid
SMILES [?]:
Cc1ccc(cc1)C(C)(c2ccccc2)C(C)(CC=O)CC(=O)O
InChi [?]:
InChI=1/C21H24O3/c1-16-9-11-18(12-10-16)21(3,17-7-5-4-6-8-17)20(2,13-14-22)15-19(23)24/h4-12,14H,13,15H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,17,9,13,12,14,11,15,3,7,4,6,18,19,21,2,10,5,22,16,8,20,23,24/E:(5,6)(7,8)(9,10)(11,12)(23,24)/rA:24cCCCCCCCCCCCCCCCCCCCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s8;s10;d11;s12;d13;d10s14;s8;s16;s16;s18;d19;s16;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:8.99661
Area:479.046
Solvation:-2.97954
Coulombic:-36.2657
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:324.413
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.47
LogP (Chemaxon):4.72

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Descriptor Annotations

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