5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid

C17H13FO4 — CID 708273

IUPAC5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)O
InChIInChI=1S/C17H13FO4/c1-10-16(17(19)20)13-8-12(6-7-15(13)22-10)21-9-11-4-2-3-5-14(11)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyHOHKJLIJQNVRKT-UHFFFAOYSA-N
MW300.28 g/mol
LogP4.16
Rot. Bonds4

About 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid

5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid (PubChem CID 708273) has the molecular formula C17H13FO4 and a molecular weight of 300.28 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
PubChem CID708273
Molecular FormulaC17H13FO4
Molecular Weight300.28 g/mol
Exact Mass300.08
IUPAC Name5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)O
InChIInChI=1S/C17H13FO4/c1-10-16(17(19)20)13-8-12(6-7-15(13)22-10)21-9-11-4-2-3-5-14(11)18/h2-8H,9H2,1H3,(H,19,20)
InChIKeyHOHKJLIJQNVRKT-UHFFFAOYSA-N
XLogP4.16
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid (CID 708273) is 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid is Cc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)O.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid?
The InChIKey is HOHKJLIJQNVRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO4/c1-10-16(17(19)20)13-8-12(6-7-15(13)22-10)21-9-11-4-2-3-5-14(11)18/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid?
5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid has a molecular weight of 300.28 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 708273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).