Chemical ID: 5247605

CC(=O)C(C)(C)c1ccc(cc1)c2ccccc2
Chemical ID:
5247605
Name [?]:
3-methyl-3-(4-phenylphenyl)-butan-2-one
SMILES [?]:
CC(=O)C(C)(C)c1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C17H18O/c1-13(18)17(2,3)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,6,16,15,17,14,18,9,11,8,12,2,13,10,7,4,3/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:18nCCOCCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s4;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.39068
Area:432.725
Solvation:-2.42745
Coulombic:-10.1801
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:238.324
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.58
LogP (Chemaxon):5.14

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Descriptor Annotations

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