2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid

C16H11FO4 — CID 117179456

IUPAC2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid
SMILESO=C(O)c1ccc2cc(COc3ccccc3F)oc2c1
InChIInChI=1S/C16H11FO4/c17-13-3-1-2-4-14(13)20-9-12-7-10-5-6-11(16(18)19)8-15(10)21-12/h1-8H,9H2,(H,18,19)
InChIKeyTWNHPLITEWAWHD-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.85
Rot. Bonds4

About 2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid

2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid (PubChem CID 117179456) has the molecular formula C16H11FO4 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid
PubChem CID117179456
Molecular FormulaC16H11FO4
Molecular Weight286.26 g/mol
Exact Mass286.06
IUPAC Name2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid
SMILESO=C(O)c1ccc2cc(COc3ccccc3F)oc2c1
InChIInChI=1S/C16H11FO4/c17-13-3-1-2-4-14(13)20-9-12-7-10-5-6-11(16(18)19)8-15(10)21-12/h1-8H,9H2,(H,18,19)
InChIKeyTWNHPLITEWAWHD-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

2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid
CID 117179469
4-[2-(2-fluorophenoxy)ethoxy]-3-methylbenzoic acid
CID 104651443
6-chloro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117179334
1-[2-(2-fluorophenoxy)ethyl]indole-6-carboxylic acid
CID 58213856
6-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117185801
3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid
CID 107714150
5-[(2-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 55184546
2-(4-benzoylphenoxy)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 2546824
3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
3-fluoro-4-[(2-methylphenoxy)methyl]benzoic acid
CID 63073082
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(2-fluorophenoxy)acetamide
CID 124761323
6-chloro-2-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117179379

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid (CID 117179456) is 2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid is O=C(O)c1ccc2cc(COc3ccccc3F)oc2c1.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid?
The InChIKey is TWNHPLITEWAWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO4/c17-13-3-1-2-4-14(13)20-9-12-7-10-5-6-11(16(18)19)8-15(10)21-12/h1-8H,9H2,(H,18,19).
What are the key properties of 2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid?
2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-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 2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 117179456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).