5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid

C21H16FNO4 — CID 67685145

IUPAC5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1ccccc1F)n2Cc1ccc(C(=O)O)o1
InChIInChI=1S/C21H16FNO4/c1-26-14-6-8-18-13(10-14)11-19(16-4-2-3-5-17(16)22)23(18)12-15-7-9-20(27-15)21(24)25/h2-11H,12H2,1H3,(H,24,25)
InChIKeyBSXPMVRYTAZBFC-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.80
Rot. Bonds5

About 5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid

5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 67685145) has the molecular formula C21H16FNO4 and a molecular weight of 365.36 g/mol. Its IUPAC name is 5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid
PubChem CID67685145
Molecular FormulaC21H16FNO4
Molecular Weight365.36 g/mol
Exact Mass365.11
IUPAC Name5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1ccccc1F)n2Cc1ccc(C(=O)O)o1
InChIInChI=1S/C21H16FNO4/c1-26-14-6-8-18-13(10-14)11-19(16-4-2-3-5-17(16)22)23(18)12-15-7-9-20(27-15)21(24)25/h2-11H,12H2,1H3,(H,24,25)
InChIKeyBSXPMVRYTAZBFC-UHFFFAOYSA-N
XLogP4.80
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]benzoate
CID 67685235
3-[[2-(furan-2-yl)-5-methoxyindol-1-yl]methyl]benzoic acid
CID 67684562
1-benzyl-2-(furan-3-yl)-5-methoxyindole
CID 141287669
methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate
CID 67685173
5-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid
CID 84759076
5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]furan-2-carboxylic acid
CID 82055324
5-[[(S)-(4-methoxyphenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 51550617
ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate
CID 67684745
5-[(3-bromo-4-fluorophenoxy)methyl]furan-2-carboxylic acid
CID 83233800
methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
CID 67685081
methyl 3-[(5-methoxy-2-propan-2-ylindol-1-yl)methyl]benzoate
CID 67684489
1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid (CID 67685145) is 5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid is COc1ccc2c(c1)cc(-c1ccccc1F)n2Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is BSXPMVRYTAZBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO4/c1-26-14-6-8-18-13(10-14)11-19(16-4-2-3-5-17(16)22)23(18)12-15-7-9-20(27-15)21(24)25/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of 5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid?
5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 365.36 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 67685145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).