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Chemical ID: 4373047

Chemical ID:

4373047

Name [?]:

2-methoxy-1-[2-(2-methoxy-4-methyl-phenoxy)ethoxy]-4-prop-1-enyl-benzene

SMILES [?]:

CC=Cc1ccc(c(c1)OC)OCCOc2ccc(cc2OC)C

InChi [?]:

InChI=1/C20H24O4/c1-5-6-16-8-10-18(20(14-16)22-4)24-12-11-23-17-9-7-15(2)13-19(17)21-3/h5-10,13-14H,11-12H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,24,23,11,2,3,18,5,17,6,14,13,20,9,19,4,16,7,21,8,22,10,15,12/rA:24nCCCCCCCCCOCOCCOCCCCCCOCC/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s8;s10;s7;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄O₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	5.82908
Area:	570.621
Solvation:	-8.43644
Coulombic:	-29.7355

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	328.402
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.86
LogP (Chemaxon):	4.37

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