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Chemical ID: 5544232

Chemical ID:

5544232

Name [?]:

2-(4-cyclohexylphenoxy)-1-(p-tolyl)ethanone

SMILES [?]:

Cc1ccc(cc1)C(=O)COc2ccc(cc2)C3CCCCC3

InChi [?]:

InChI=1/C21H24O2/c1-16-7-9-19(10-8-16)21(22)15-23-20-13-11-18(12-14-20)17-5-3-2-4-6-17/h7-14,17H,2-6,15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,21,20,22,19,23,3,7,4,6,14,16,13,17,10,2,18,15,5,12,8,9,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:23nCCCCCCCCOCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₄O₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.64243
Area:	538.875
Solvation:	-3.82945
Coulombic:	-18.2369

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	308.414
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.47
LogP (Chemaxon):	5.2

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value