2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid

C17H11FO5 — CID 21268790

IUPAC2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid
SMILESO=C(O)Cc1cc2ccoc2c(C(=O)c2ccc(F)cc2)c1O
InChIInChI=1S/C17H11FO5/c18-12-3-1-9(2-4-12)15(21)14-16(22)11(8-13(19)20)7-10-5-6-23-17(10)14/h1-7,22H,8H2,(H,19,20)
InChIKeyDXUNFSZUHFYJQW-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.14
Rot. Bonds4

About 2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid

2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid (PubChem CID 21268790) has the molecular formula C17H11FO5 and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid
PubChem CID21268790
Molecular FormulaC17H11FO5
Molecular Weight314.27 g/mol
Exact Mass314.06
IUPAC Name2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid
SMILESO=C(O)Cc1cc2ccoc2c(C(=O)c2ccc(F)cc2)c1O
InChIInChI=1S/C17H11FO5/c18-12-3-1-9(2-4-12)15(21)14-16(22)11(8-13(19)20)7-10-5-6-23-17(10)14/h1-7,22H,8H2,(H,19,20)
InChIKeyDXUNFSZUHFYJQW-UHFFFAOYSA-N
XLogP3.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid
CID 21268723
2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-4-fluorophenyl]acetic acid
CID 175256545
2-(5-bromo-1-benzofuran-7-yl)acetic acid
CID 83900977
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862
3-amino-3-(5-fluoro-1-benzofuran-7-yl)propanoic acid
CID 117319083
2-furo[2,3-f][1]benzofuran-4-ylacetic acid
CID 115010286
7-ethyl-1-benzofuran-5-carboxylic acid
CID 83817922
(4-fluorophenyl)-(3-methylfuran-2-yl)methanone
CID 43462648
(4-fluorophenyl)-phenylmethanone
CID 161464622
[5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite
CID 142226564
2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-5-fluorophenyl]acetic acid
CID 139560417
2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid
CID 146417244

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid?
The IUPAC name of 2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid (CID 21268790) is 2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid.
What is the SMILES notation for 2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid?
The canonical SMILES for 2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid is O=C(O)Cc1cc2ccoc2c(C(=O)c2ccc(F)cc2)c1O.
What is the InChIKey of 2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid?
The InChIKey is DXUNFSZUHFYJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO5/c18-12-3-1-9(2-4-12)15(21)14-16(22)11(8-13(19)20)7-10-5-6-23-17(10)14/h1-7,22H,8H2,(H,19,20).
What are the key properties of 2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid?
2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid has a molecular weight of 314.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid is sourced from PubChem (CID 21268790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).