2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol

C14H8F2O3 — CID 54590961

IUPAC2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol
SMILESOc1cc(O)c2cc(-c3cc(F)cc(F)c3)oc2c1
InChIInChI=1S/C14H8F2O3/c15-8-1-7(2-9(16)3-8)13-6-11-12(18)4-10(17)5-14(11)19-13/h1-6,17-18H
InChIKeyGCPGLUQKUXJBLD-UHFFFAOYSA-N
MW262.21 g/mol
LogP3.79
Rot. Bonds1

About 2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol

2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol (PubChem CID 54590961) has the molecular formula C14H8F2O3 and a molecular weight of 262.21 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol
PubChem CID54590961
Molecular FormulaC14H8F2O3
Molecular Weight262.21 g/mol
Exact Mass262.04
IUPAC Name2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol
SMILESOc1cc(O)c2cc(-c3cc(F)cc(F)c3)oc2c1
InChIInChI=1S/C14H8F2O3/c15-8-1-7(2-9(16)3-8)13-6-11-12(18)4-10(17)5-14(11)19-13/h1-6,17-18H
InChIKeyGCPGLUQKUXJBLD-UHFFFAOYSA-N
XLogP3.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-benzofuran-4,6-diol
CID 54590959
3,5-difluorophenol
CID 159284632
2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol
CID 641364
2-(4-hydroxy-1-benzofuran-6-yl)-1-benzofuran-6-ol
CID 129169005
2-(4-chlorophenyl)-1-benzofuran-4-ol
CID 71743775
5,7-dihydroxy-2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one
CID 172653209
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
7-hydroxy-2-phenylchromen-4-one
CID 5281894
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
6-methoxy-2-methyl-1-benzofuran-4-ol
CID 23253009
2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one
CID 131834556
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol?
The IUPAC name of 2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol (CID 54590961) is 2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol is Oc1cc(O)c2cc(-c3cc(F)cc(F)c3)oc2c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol?
The InChIKey is GCPGLUQKUXJBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2O3/c15-8-1-7(2-9(16)3-8)13-6-11-12(18)4-10(17)5-14(11)19-13/h1-6,17-18H.
What are the key properties of 2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol?
2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol has a molecular weight of 262.21 g/mol, XLogP of 3.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-benzofuran-4,6-diol is sourced from PubChem (CID 54590961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).