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Chemical ID: 5308623

Chemical ID:

5308623

Name [?]:

1-[4-[4-(1-hydroxyethyl)phenoxy]phenyl]ethanol

SMILES [?]:

CC(c1ccc(cc1)Oc2ccc(cc2)C(C)O)O

InChi [?]:

InChI=1/C16H18O3/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-12,17-18H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,17,4,8,12,14,5,7,11,15,2,16,3,13,6,10,19,18,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)/rA:19cCCCCCCCCOCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s2;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₈O₃
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	2

ZAP Information [?]

Total:	7.56001
Area:	459.813
Solvation:	-3.93533
Coulombic:	-42.8978

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	258.312
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.93
LogP (Chemaxon):	3.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value