5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid

C23H17FO5 — CID 70688323

IUPAC5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
SMILESCOc1ccc(-c2oc3ccc(OCc4cccc(F)c4)cc3c2C(=O)O)cc1
InChIInChI=1S/C23H17FO5/c1-27-17-7-5-15(6-8-17)22-21(23(25)26)19-12-18(9-10-20(19)29-22)28-13-14-3-2-4-16(24)11-14/h2-12H,13H2,1H3,(H,25,26)
InChIKeyIQWDKPLQTHOYBS-UHFFFAOYSA-N
MW392.38 g/mol
LogP5.52
Rot. Bonds6

About 5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid

5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid (PubChem CID 70688323) has the molecular formula C23H17FO5 and a molecular weight of 392.38 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
PubChem CID70688323
Molecular FormulaC23H17FO5
Molecular Weight392.38 g/mol
Exact Mass392.11
IUPAC Name5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
SMILESCOc1ccc(-c2oc3ccc(OCc4cccc(F)c4)cc3c2C(=O)O)cc1
InChIInChI=1S/C23H17FO5/c1-27-17-7-5-15(6-8-17)22-21(23(25)26)19-12-18(9-10-20(19)29-22)28-13-14-3-2-4-16(24)11-14/h2-12H,13H2,1H3,(H,25,26)
InChIKeyIQWDKPLQTHOYBS-UHFFFAOYSA-N
XLogP5.52
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.38
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70692505
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
5-[(4-bromophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
CID 1185464
[5-[(3-fluorophenyl)methoxy]-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 91938912
2-phenyl-5-propoxy-1-benzofuran-3-carboxylic acid
CID 142773604
5-[(3-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 979577
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
ethyl 5-[[3-[hydroxy(oxido)amino]phenyl]methoxy]-2-phenyl-1-benzofuran-3-carboxylate
CID 163177086
2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid
CID 70908973
ethyl 5-hydroxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-3-carboxylate
CID 68682648
5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773378

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid (CID 70688323) is 5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid is COc1ccc(-c2oc3ccc(OCc4cccc(F)c4)cc3c2C(=O)O)cc1.
What is the InChIKey of 5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is IQWDKPLQTHOYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FO5/c1-27-17-7-5-15(6-8-17)22-21(23(25)26)19-12-18(9-10-20(19)29-22)28-13-14-3-2-4-16(24)11-14/h2-12H,13H2,1H3,(H,25,26).
What are the key properties of 5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid?
5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 392.38 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 70688323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).