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Chemical ID: 4154022

CCc1ccc(cc1)OCCCC(=O)Oc2ccc3c(cc(=O)oc3c2)C

Chemical ID:

4154022

Name [?]:

(4-methyl-2-oxo-chromen-7-yl) 4-(4-ethylphenoxy)butanoate

SMILES [?]:

CCc1ccc(cc1)OCCCC(=O)Oc2ccc3c(cc(=O)oc3c2)C

InChi [?]:

InChI=1/C22H22O5/c1-3-16-6-8-17(9-7-16)25-12-4-5-21(23)26-18-10-11-19-15(2)13-22(24)27-20(19)14-18/h6-11,13-14H,3-5,12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,27,2,11,12,4,8,5,7,17,18,10,21,26,20,3,6,16,19,25,13,22,14,23,9,15,24/E:(6,7)(8,9)/rA:27nCCCCCCCCOCCCCOOCCCCCCCOOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;s19;d20;s21;d22;s22;d19s24;d16s25;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂O₅
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7438
Area:	617.35
Solvation:	-4.6899
Coulombic:	-44.2902

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	366.407
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.73
LogP (Chemaxon):	4.88

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