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Chemical ID: 6879784

Cc1ccc(cc1)OCCCOc2c(=O)c3cc(ccc3oc2c4ccco4)C

Chemical ID:

6879784

Name [?]:

2-(2-furyl)-6-methyl-3-[3-(4-methylphenoxy)propoxy]chromen-4-one

SMILES [?]:

Cc1ccc(cc1)OCCCOc2c(=O)c3cc(ccc3oc2c4ccco4)C

InChi [?]:

InChI=1/C24H22O5/c1-16-6-9-18(10-7-16)26-13-4-14-28-24-22(25)19-15-17(2)8-11-20(19)29-23(24)21-5-3-12-27-21/h3,5-12,15H,4,13-14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,29,26,10,25,3,7,19,4,6,20,27,9,11,17,2,18,5,16,21,24,14,23,13,15,8,28,12,22/E:(6,7)(9,10)/rA:29nCCCCCCCOCCCOCCOCCCCCCOCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s25;d26;s24s27;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂O₅
All Atoms:	51
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2517
Area:	622.793
Solvation:	-5.31816
Coulombic:	-41.1715

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	390.428
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.53
LogP (Chemaxon):	4.92

Name Annotations

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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