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Chemical ID: 4304950

Chemical ID:

4304950

Name [?]:

2-[3-(4-methoxyphenyl)-3-oxo-1-phenyl-propyl]cyclohexan-1-one

SMILES [?]:

COc1ccc(cc1)C(=O)CC(c2ccccc2)C3CCCCC3=O

InChi [?]:

InChI=1/C22H24O3/c1-25-18-13-11-17(12-14-18)22(24)15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)23/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,16,15,17,21,22,14,18,20,23,5,7,4,8,11,13,6,3,19,12,24,9,25,10,2/E:(3,4)(7,8)(11,12)(13,14)/rA:25cCOCCCCCCCOCCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s12;s19;s20;s21;s22;s19s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄O₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	2

ZAP Information [?]

Total:	8.40737
Area:	542.536
Solvation:	-5.15603
Coulombic:	-23.0484

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	336.424
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.92
LogP (Chemaxon):	4.47

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