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Chemical ID: 6653226

Chemical ID:

6653226

Name [?]:

1-methoxy-4-[3-(4-methoxyphenyl)phenyl]-benzene

SMILES [?]:

COc1ccc(cc1)c2cccc(c2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C20H18O2/c1-21-19-10-6-15(7-11-19)17-4-3-5-18(14-17)16-8-12-20(22-2)13-9-16/h3-14H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,11,10,12,5,7,16,20,4,8,17,19,14,6,15,9,13,3,18,2,21/E:(1,2)(4,5)(6,7,8,9)(10,11,12,13)(15,16)(17,18)(19,20)(21,22)/rA:22nCOCCCCCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s13;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₈O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.64785
Area:	504.503
Solvation:	-3.96472
Coulombic:	-17.6561

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	290.356
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.73
LogP (Chemaxon):	4.91

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