ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6422974

Chemical ID:

6422974

Name [?]:

2-(4-hydroxyphenyl)benzofuran-6-ol

SMILES [?]:

c1cc(ccc1c2cc3ccc(cc3o2)O)O

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,5,10,2,4,11,8,13,6,9,3,12,7,14,17,16,15/E:(1,2)(4,5)/rA:17nCCCCCCCCCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s12;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	6.71162
Area:	403.218
Solvation:	-3.36882
Coulombic:	-40.509

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