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Chemical ID: 6887319

Cc1ccc(cc1)COc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)c5ccccc5

Chemical ID:

6887319

Name [?]:

3-(4-phenylphenoxy)-7-(p-tolylmethoxy)chromen-4-one

SMILES [?]:

Cc1ccc(cc1)COc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)c5ccccc5

InChi [?]:

InChI=1/C29H22O4/c1-20-7-9-21(10-8-20)18-31-25-15-16-26-27(17-25)32-19-28(29(26)30)33-24-13-11-23(12-14-24)22-5-3-2-4-6-22/h2-17,19H,18H2,1H3

InChi Info:

AuxInfo=1/0/N:1,31,30,32,29,33,3,7,4,6,24,26,23,27,11,12,15,8,17,2,5,28,25,22,10,13,14,18,19,20,9,16,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:33nCCCCCCCCOCCCCCCOCCCOOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s13s18;d19;s18;s21;s22;d23;s24;d25;d22s26;s25;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₂O₄
All Atoms:	55
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3575
Area:	684.095
Solvation:	-4.74485
Coulombic:	-35.6774

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	434.483
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.49
LogP (Chemaxon):	7.28

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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