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Chemical ID: 5782280

Cc1c(c(=O)c2ccc(cc2o1)OCc3cccc(c3)Oc4ccccc4)Oc5ccccc5

Chemical ID:

5782280

Name [?]:

2-methyl-3-phenoxy-7-[(3-phenoxyphenyl)methoxy]chromen-4-one

SMILES [?]:

Cc1c(c(=O)c2ccc(cc2o1)OCc3cccc(c3)Oc4ccccc4)Oc5ccccc5

InChi [?]:

InChI=1/C29H22O5/c1-20-29(34-23-12-6-3-7-13-23)28(30)26-16-15-24(18-27(26)32-20)31-19-21-9-8-14-25(17-21)33-22-10-4-2-5-11-22/h2-18H,19H2,1H3

InChi Info:

AuxInfo=1/0/N:1,25,32,24,26,31,33,17,16,23,27,30,34,18,8,7,20,10,14,2,15,22,29,9,19,6,11,4,3,5,13,12,21,28/E:(4,5)(6,7)(10,11)(12,13)/rA:34nCCCCOCCCCCCOOCCCCCCCOCCCCCCOCCCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;d23;s24;d25;d22s26;s3;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₂O₅
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0599
Area:	685.941
Solvation:	-5.08861
Coulombic:	-42.9349

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	450.482
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.83
LogP (Chemaxon):	6.57

Name Annotations

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

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