5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid

C23H16F2O5 — CID 70692505

IUPAC5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
SMILESCOc1ccc(-c2oc3ccc(OCc4c(F)cccc4F)cc3c2C(=O)O)cc1
InChIInChI=1S/C23H16F2O5/c1-28-14-7-5-13(6-8-14)22-21(23(26)27)16-11-15(9-10-20(16)30-22)29-12-17-18(24)3-2-4-19(17)25/h2-11H,12H2,1H3,(H,26,27)
InChIKeyGEEMQOORHDSVNG-UHFFFAOYSA-N
MW410.37 g/mol
LogP5.66
Rot. Bonds6

About 5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid

5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid (PubChem CID 70692505) has the molecular formula C23H16F2O5 and a molecular weight of 410.37 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
PubChem CID70692505
Molecular FormulaC23H16F2O5
Molecular Weight410.37 g/mol
Exact Mass410.10
IUPAC Name5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
SMILESCOc1ccc(-c2oc3ccc(OCc4c(F)cccc4F)cc3c2C(=O)O)cc1
InChIInChI=1S/C23H16F2O5/c1-28-14-7-5-13(6-8-14)22-21(23(26)27)16-11-15(9-10-20(16)30-22)29-12-17-18(24)3-2-4-19(17)25/h2-11H,12H2,1H3,(H,26,27)
InChIKeyGEEMQOORHDSVNG-UHFFFAOYSA-N
XLogP5.66
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.37
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70688323
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
2-phenyl-5-propoxy-1-benzofuran-3-carboxylic acid
CID 142773604
5-[(4-bromophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
CID 1185464
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
5-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 988870
methanimidamide;5-methoxy-2-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxylic acid
CID 162121636
5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773376
(5-chloro-2-phenyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 21435398
2-[[2-(4-fluorophenyl)-3-(methoxymethyl)-1-benzofuran-5-yl]oxy]acetic acid
CID 70908973
methyl 2-(4-fluorophenyl)-5-prop-2-enoxy-1-benzofuran-3-carboxylate
CID 68719193

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid (CID 70692505) is 5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid is COc1ccc(-c2oc3ccc(OCc4c(F)cccc4F)cc3c2C(=O)O)cc1.
What is the InChIKey of 5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is GEEMQOORHDSVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2O5/c1-28-14-7-5-13(6-8-14)22-21(23(26)27)16-11-15(9-10-20(16)30-22)29-12-17-18(24)3-2-4-19(17)25/h2-11H,12H2,1H3,(H,26,27).
What are the key properties of 5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid?
5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 410.37 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 70692505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).