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Chemical ID: 4956468
Chemical ID:
4956468
Name [?]:
2-hydroxy-2-methyl-3,3-diphenyl-propanoic acid
SMILES [?]:
CC(C(c1ccccc1)c2ccccc2)(C(=O)O)O
InChi [?]:
InChI=1/C16H16O3/c1-16(19,15(17)18)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,19H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,7,13,6,8,12,14,5,9,11,15,4,10,3,16,2,17,18,19/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(17,18)/rA:19cCCCCCCCCCCCCCCCCOOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;d11;s12;d13;d10s14;s2;d16;s16;s2;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.59745 |
Area: | 423.444 |
Solvation: | -2.98865 |
Coulombic: | -48.0684 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 256.296 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.45 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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