(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol

C15H13FO3 — CID 115836603

IUPAC(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESCc1cc(C(O)c2cc3cc(F)ccc3o2)c(C)o1
InChIInChI=1S/C15H13FO3/c1-8-5-12(9(2)18-8)15(17)14-7-10-6-11(16)3-4-13(10)19-14/h3-7,15,17H,1-2H3
InChIKeyAKTSFBCMPQVBNG-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.86
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol

(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 115836603) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
PubChem CID115836603
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESCc1cc(C(O)c2cc3cc(F)ccc3o2)c(C)o1
InChIInChI=1S/C15H13FO3/c1-8-5-12(9(2)18-8)15(17)14-7-10-6-11(16)3-4-13(10)19-14/h3-7,15,17H,1-2H3
InChIKeyAKTSFBCMPQVBNG-UHFFFAOYSA-N
XLogP3.86
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724197
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723648
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727129
(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836655
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanol
CID 106756364
(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol
CID 114724539
(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723341

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol (CID 115836603) is (2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol is Cc1cc(C(O)c2cc3cc(F)ccc3o2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is AKTSFBCMPQVBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-8-5-12(9(2)18-8)15(17)14-7-10-6-11(16)3-4-13(10)19-14/h3-7,15,17H,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 260.26 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 115836603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).