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Chemical ID: 5242135

Chemical ID:

5242135

Name [?]:

2-[[4-(2-hydroxyethoxy)-1-naphthyl]oxy]ethanol

SMILES [?]:

c1ccc2c(c1)c(ccc2OCCO)OCCO

InChi [?]:

InChI=1/C14H16O4/c15-7-9-17-13-5-6-14(18-10-8-16)12-4-2-1-3-11(12)13/h1-6,15-16H,7-10H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,8,9,17,13,16,12,5,4,7,10,18,14,15,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCCCCCCCCOCCOOCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;s7;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆O₄
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	4.42703
Area:	443.5
Solvation:	-6.66047
Coulombic:	-47.8438

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	248.274
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.7
LogP (Chemaxon):	1.66

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