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Chemical ID: 6623704

Chemical ID:

6623704

Name [?]:

[2-(4-methylbenzoyl)cyclobutyl]-(p-tolyl)methanone

SMILES [?]:

Cc1ccc(cc1)C(=O)C2CCC2C(=O)c3ccc(cc3)C

InChi [?]:

InChI=1/C20H20O2/c1-13-3-7-15(8-4-13)19(21)17-11-12-18(17)20(22)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,3,7,18,20,4,6,17,21,11,12,2,19,5,16,10,13,8,14,9,15/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22cCCCCCCCCOCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s10s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	8.38735
Area:	475.582
Solvation:	-3.5022
Coulombic:	-17.2948

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	292.372
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.29
LogP (Chemaxon):	4.23

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value