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Chemical ID: 5175597
Chemical ID:
5175597
Name [?]:
2,4-diphenylbut-3-en-2-ol
SMILES [?]:
CC(C=Cc1ccccc1)(c2ccccc2)O
InChi [?]:
InChI=1/C16H16O/c1-16(17,15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14/h2-13,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,14,7,9,13,15,6,10,12,16,4,3,5,11,2,17/E:(4,5)(6,7)(8,9)(10,11)/rA:17cCCCCCCCCCCCCCCCCO/rB:s1;s2;w3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s13;d14;d11s15;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.42135 |
Area: | 400.274 |
Solvation: | -1.5855 |
Coulombic: | -21.4362 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 224.298 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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