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Chemical ID: 6887320

c1ccc(cc1)CCOc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)c5ccccc5

Chemical ID:

6887320

Name [?]:

7-phenethyloxy-3-(4-phenylphenoxy)-chromen-4-one

SMILES [?]:

c1ccc(cc1)CCOc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)c5ccccc5

InChi [?]:

InChI=1/C29H22O4/c30-29-26-16-15-25(31-18-17-21-7-3-1-4-8-21)19-27(26)32-20-28(29)33-24-13-11-23(12-14-24)22-9-5-2-6-10-22/h1-16,19-20H,17-18H2

InChi Info:

AuxInfo=1/0/N:1,31,2,6,30,32,3,5,29,33,24,26,23,27,11,12,7,8,15,17,4,28,25,22,10,13,14,18,19,20,9,16,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:33nCCCCCCCCOCCCCCCOCCCOOCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;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:	12.7223
Area:	687.184
Solvation:	-4.45734
Coulombic:	-36.2208

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	434.483
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.21
LogP (Chemaxon):	7.06

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