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Chemical ID: 5789458

Chemical ID:

5789458

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C17H14O4/c1-10-3-8-14-13(9-10)15(18)16(19)17(21-14)11-4-6-12(20-2)7-5-11/h3-9,19H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,3,14,18,15,17,4,7,2,13,16,6,5,8,10,11,9,21,19,12/E:(4,5)(6,7)/rA:21nCCCCCCCCOCCOCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₄O₄
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	7.69525
Area:	463.752
Solvation:	-3.89856
Coulombic:	-42.0389

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	282.291
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.33
LogP (Chemaxon):	4.2

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value