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Chemical ID: 6600516

Chemical ID:

6600516

Name [?]:

(6-methoxy-3-methyl-benzofuran-2-yl)-(4-methoxyphenyl)-methanone

SMILES [?]:

Cc1c2ccc(cc2oc1C(=O)c3ccc(cc3)OC)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,20,22,14,18,15,17,5,4,7,2,13,16,6,3,8,11,10,12,19,21,9/E:(4,5)(6,7)/rA:22nCCCCCCCCOCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s6;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.0139
Area:	486.476
Solvation:	-4.14801
Coulombic:	-33.1128

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	296.317
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.61
LogP (Chemaxon):	3.57

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