ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6422980

Chemical ID:

6422980

Name [?]:

2-(4-hydroxyphenyl)benzofuran-5-ol

SMILES [?]:

c1cc(ccc1c2cc3cc(ccc3o2)O)O

InChi [?]:

InChI=1/C14H10O3/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8,15-16H

InChi Info:

AuxInfo=1/0/N:1,5,2,4,12,13,10,8,6,9,3,11,14,7,17,16,15/E:(1,2)(3,4)/rA:17nCCCCCCCCCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s11;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₀O₃
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	6.67983
Area:	403.339
Solvation:	-3.40365
Coulombic:	-40.3919

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	226.227
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	2.78
LogP (Chemaxon):	3.51

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