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Chemical ID: 4111207

Chemical ID:

4111207

Name [?]:

8,8-diphenyl-2-oxabicyclo[4.2.0]octan-7-one

SMILES [?]:

c1ccc(cc1)C2(C3C(C2=O)CCCO3)c4ccccc4

InChi [?]:

InChI=1/C19H18O2/c20-17-16-12-7-13-21-18(16)19(17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18H,7,12-13H2

InChi Info:

AuxInfo=1/0/N:1,19,2,6,18,20,13,3,5,17,21,12,14,4,16,9,10,8,7,11,15/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)/rA:21cCCCCCCCCCCOCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s7s9;d10;s9;s12;s13;s8s14;s7;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	2

ZAP Information [?]

Total:	7.81849
Area:	449.692
Solvation:	-3.42381
Coulombic:	-18.958

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	278.345
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.51
LogP (Chemaxon):	4.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value