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Chemical ID: 4390202

Chemical ID:

4390202

Name [?]:

6-ethyl-7-methoxy-2-methyl-3-phenoxy-chromen-4-one

SMILES [?]:

CCc1cc2c(cc1OC)oc(c(c2=O)Oc3ccccc3)C

InChi [?]:

InChI=1/C19H18O4/c1-4-13-10-15-17(11-16(13)21-3)22-12(2)19(18(15)20)23-14-8-6-5-7-9-14/h5-11H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,23,10,2,20,19,21,18,22,4,7,12,3,17,5,8,6,14,13,15,9,11,16/E:(6,7)(8,9)/rA:23nCCCCCCCCOCOCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s5s13;d14;s13;s16;s17;d18;s19;d20;d17s21;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈O₄
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.86737
Area:	499.769
Solvation:	-3.62685
Coulombic:	-32.9733

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	310.344
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.33
LogP (Chemaxon):	4.22

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