2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid

C18H15FO5 — CID 70908973

IUPAC2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid
SMILESCOCc1c(-c2ccc(F)cc2)oc2ccc(OCC(=O)O)cc12
InChIInChI=1S/C18H15FO5/c1-22-9-15-14-8-13(23-10-17(20)21)6-7-16(14)24-18(15)11-2-4-12(19)5-3-11/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyAPZCTIUZHOOVNQ-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.85
Rot. Bonds6

About 2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid

2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid (PubChem CID 70908973) has the molecular formula C18H15FO5 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid
PubChem CID70908973
Molecular FormulaC18H15FO5
Molecular Weight330.31 g/mol
Exact Mass330.09
IUPAC Name2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid
SMILESCOCc1c(-c2ccc(F)cc2)oc2ccc(OCC(=O)O)cc12
InChIInChI=1S/C18H15FO5/c1-22-9-15-14-8-13(23-10-17(20)21)6-7-16(14)24-18(15)11-2-4-12(19)5-3-11/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyAPZCTIUZHOOVNQ-UHFFFAOYSA-N
XLogP3.85
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate
CID 68719193
2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetic acid
CID 1382977
5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70688323
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70692505
2-[[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide
CID 161248470
methyl 2-[5-[(4-fluorophenyl)methoxy]-3-hydroxy-1-benzofuran-2-yl]-2-oxoacetate
CID 511964
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773376
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
CID 7742761
2-(4-hydroxy-2-oxo-3-pentoxychromen-6-yl)oxyacetic acid
CID 54696667
2-[[3-[(4-fluorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]oxy]acetic acid
CID 54278752

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid?
The IUPAC name of 2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid (CID 70908973) is 2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid is COCc1c(-c2ccc(F)cc2)oc2ccc(OCC(=O)O)cc12.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid?
The InChIKey is APZCTIUZHOOVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO5/c1-22-9-15-14-8-13(23-10-17(20)21)6-7-16(14)24-18(15)11-2-4-12(19)5-3-11/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid?
2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid has a molecular weight of 330.31 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid is sourced from PubChem (CID 70908973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).