Chemical ID: 4956468

CC(C(c1ccccc1)c2ccccc2)(C(=O)O)O
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

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Descriptor Annotations

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