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Chemical ID: 6879659

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCCc4ccccc4

Chemical ID:

6879659

Name [?]:

2-(4-methoxyphenyl)-6-methyl-3-phenethyloxy-chromen-4-one

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCCc4ccccc4

InChi [?]:

InChI=1/C25H22O4/c1-17-8-13-22-21(16-17)23(26)25(28-15-14-18-6-4-3-5-7-18)24(29-22)19-9-11-20(27-2)12-10-19/h3-13,16H,14-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,27,26,28,25,29,3,14,18,15,17,4,23,22,7,2,24,13,16,6,5,8,11,10,9,19,21,12/E:(4,5)(6,7)(9,10)(11,12)/rA:29nCCCCCCCCOCCOCCCCCCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂O₄
All Atoms:	51
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.233
Area:	613.91
Solvation:	-4.11476
Coulombic:	-36.3589

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	386.44
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.09
LogP (Chemaxon):	5.61

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