3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol

C14H8F2O2 — CID 114735944

IUPAC3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol
SMILESOc1ccc(-c2cc3cc(F)ccc3o2)c(F)c1
InChIInChI=1S/C14H8F2O2/c15-9-1-4-13-8(5-9)6-14(18-13)11-3-2-10(17)7-12(11)16/h1-7,17H
InChIKeyPPXHDYDNSKBPBA-UHFFFAOYSA-N
MW246.21 g/mol
LogP4.08
Rot. Bonds1

About 3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol

3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol (PubChem CID 114735944) has the molecular formula C14H8F2O2 and a molecular weight of 246.21 g/mol. Its IUPAC name is 3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol
PubChem CID114735944
Molecular FormulaC14H8F2O2
Molecular Weight246.21 g/mol
Exact Mass246.05
IUPAC Name3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol
SMILESOc1ccc(-c2cc3cc(F)ccc3o2)c(F)c1
InChIInChI=1S/C14H8F2O2/c15-9-1-4-13-8(5-9)6-14(18-13)11-3-2-10(17)7-12(11)16/h1-7,17H
InChIKeyPPXHDYDNSKBPBA-UHFFFAOYSA-N
XLogP4.08
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol?
The IUPAC name of 3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol (CID 114735944) is 3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol.
What is the SMILES notation for 3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol?
The canonical SMILES for 3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol is Oc1ccc(-c2cc3cc(F)ccc3o2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol?
The InChIKey is PPXHDYDNSKBPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2O2/c15-9-1-4-13-8(5-9)6-14(18-13)11-3-2-10(17)7-12(11)16/h1-7,17H.
What are the key properties of 3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol?
3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol has a molecular weight of 246.21 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol is sourced from PubChem (CID 114735944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).