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Chemical ID: 4161996

CCOc1ccc(cc1)C(=O)Oc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)OC

Chemical ID:

4161996

Name [?]:

[3-(4-methoxyphenoxy)-4-oxo-chromen-7-yl] 4-ethoxybenzoate

SMILES [?]:

CCOc1ccc(cc1)C(=O)Oc2ccc3c(c2)occ(c3=O)Oc4ccc(cc4)OC

InChi [?]:

InChI=1/C25H20O7/c1-3-29-18-6-4-16(5-7-18)25(27)32-20-12-13-21-22(14-20)30-15-23(24(21)26)31-19-10-8-17(28-2)9-11-19/h4-15H,3H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,32,2,6,8,5,9,27,29,26,30,14,15,18,20,7,28,4,25,13,16,17,21,22,10,23,11,31,3,19,24,12/E:(4,5)(6,7)(8,9)(10,11)/rA:32nCCOCCCCCCCOOCCCCCCOCCCOOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s16s21;d22;s21;s24;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀O₇
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4994
Area:	668.954
Solvation:	-6.22441
Coulombic:	-58.6097

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	432.422
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.24
LogP (Chemaxon):	4.67

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