3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid

C16H11FO4 — CID 117181176

IUPAC3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1cccc2c(COc3ccc(F)cc3)coc12
InChIInChI=1S/C16H11FO4/c17-11-4-6-12(7-5-11)20-8-10-9-21-15-13(10)2-1-3-14(15)16(18)19/h1-7,9H,8H2,(H,18,19)
InChIKeyBPUSZCVMVSAZGE-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.85
Rot. Bonds4

About 3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid

3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid (PubChem CID 117181176) has the molecular formula C16H11FO4 and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid
PubChem CID117181176
Molecular FormulaC16H11FO4
Molecular Weight286.26 g/mol
Exact Mass286.06
IUPAC Name3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1cccc2c(COc3ccc(F)cc3)coc12
InChIInChI=1S/C16H11FO4/c17-11-4-6-12(7-5-11)20-8-10-9-21-15-13(10)2-1-3-14(15)16(18)19/h1-7,9H,8H2,(H,18,19)
InChIKeyBPUSZCVMVSAZGE-UHFFFAOYSA-N
XLogP3.85
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid (CID 117181176) is 3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid is O=C(O)c1cccc2c(COc3ccc(F)cc3)coc12.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid?
The InChIKey is BPUSZCVMVSAZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO4/c17-11-4-6-12(7-5-11)20-8-10-9-21-15-13(10)2-1-3-14(15)16(18)19/h1-7,9H,8H2,(H,18,19).
What are the key properties of 3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid?
3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid has a molecular weight of 286.26 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 117181176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).