3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid

C16H11FO4 — CID 28943189

IUPAC3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2ccccc2c1COc1ccc(F)cc1
InChIInChI=1S/C16H11FO4/c17-10-5-7-11(8-6-10)20-9-13-12-3-1-2-4-14(12)21-15(13)16(18)19/h1-8H,9H2,(H,18,19)
InChIKeyOBDDFPNRZLTAHU-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.85
Rot. Bonds4

About 3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid

3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid (PubChem CID 28943189) has the molecular formula C16H11FO4 and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid
PubChem CID28943189
Molecular FormulaC16H11FO4
Molecular Weight286.26 g/mol
Exact Mass286.06
IUPAC Name3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2ccccc2c1COc1ccc(F)cc1
InChIInChI=1S/C16H11FO4/c17-10-5-7-11(8-6-10)20-9-13-12-3-1-2-4-14(12)21-15(13)16(18)19/h1-8H,9H2,(H,18,19)
InChIKeyOBDDFPNRZLTAHU-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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18204711
[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 35809417
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 43120658
cyanomethyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 2644868
N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 55675605
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
3-(2-ethoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 43120654
N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 36840872
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119445982
N-(3-acetamido-4-fluorophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 24656109

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid (CID 28943189) is 3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid is O=C(O)c1oc2ccccc2c1COc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid?
The InChIKey is OBDDFPNRZLTAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO4/c17-10-5-7-11(8-6-10)20-9-13-12-3-1-2-4-14(12)21-15(13)16(18)19/h1-8H,9H2,(H,18,19).
What are the key properties of 3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid?
3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-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-2-carboxylic acid is sourced from PubChem (CID 28943189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).