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Chemical ID: 4233807

Chemical ID:

4233807

Name [?]:

7-methoxy-3-(4-methoxyphenyl)-2-methyl-chromen-4-one

SMILES [?]:

Cc1c(c(=O)c2ccc(cc2o1)OC)c3ccc(cc3)OC

InChi [?]:

InChI=1/C18H16O4/c1-11-17(12-4-6-13(20-2)7-5-12)18(19)15-9-8-14(21-3)10-16(15)22-11/h4-10H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,22,14,16,20,17,19,8,7,10,2,15,18,9,6,11,3,4,5,21,13,12/E:(4,5)(6,7)/rA:22nCCCCOCCCCCCOOCCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;s3;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₆O₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	7.45563
Area:	484.151
Solvation:	-4.64816
Coulombic:	-30.7532

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	296.317
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.6
LogP (Chemaxon):	3.36

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

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Chemical Mix	Source	External ID	Descriptor	Value