3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid

C21H24FNO3 — CID 59368758

IUPAC3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid
SMILESCCCN1CCc2cccc(COc3ccc(CCC(=O)O)c(F)c3)c21
InChIInChI=1S/C21H24FNO3/c1-2-11-23-12-10-16-4-3-5-17(21(16)23)14-26-18-8-6-15(19(22)13-18)7-9-20(24)25/h3-6,8,13H,2,7,9-12,14H2,1H3,(H,24,25)
InChIKeyWJSWUCUIKMCBTN-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.19
Rot. Bonds8

About 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid

3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid (PubChem CID 59368758) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid
PubChem CID59368758
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid
SMILESCCCN1CCc2cccc(COc3ccc(CCC(=O)O)c(F)c3)c21
InChIInChI=1S/C21H24FNO3/c1-2-11-23-12-10-16-4-3-5-17(21(16)23)14-26-18-8-6-15(19(22)13-18)7-9-20(24)25/h3-6,8,13H,2,7,9-12,14H2,1H3,(H,24,25)
InChIKeyWJSWUCUIKMCBTN-UHFFFAOYSA-N
XLogP4.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid with MolForge

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Related Compounds

2-[(2S)-1-[4-[(2-methylphenyl)methoxy]phenyl]pyrrolidin-2-yl]acetic acid
CID 58218571
1-[3-(4-Methoxyphenyl)propanoyl]indoline
CID 898384
2-[(2S)-1-[4-(4-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid
CID 137631853
US10336684, Example 60
CID 132129957
4-[2,6-Difluoro-4-(5-fluoro-2,2-dimethyl-1,3-dihydroindol-7-yl)phenoxy]butanoic acid
CID 121447362
4-[2,6-difluoro-4-(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)phenoxy]butanoic acid
CID 121447459
US10336684, Example 61
CID 132130023
US10336684, Example 58
CID 132130025
Ethyl 3-[3,5-difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoate
CID 23136360
3-[3,5-Difluoro-4-[(2-morpholin-4-ylphenyl)methoxy]phenyl]propanoic acid
CID 23136500
Ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate
CID 23136526
3-[3,5-Difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoic acid
CID 23136539

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid (CID 59368758) is 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid is CCCN1CCc2cccc(COc3ccc(CCC(=O)O)c(F)c3)c21.
What is the InChIKey of 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid?
The InChIKey is WJSWUCUIKMCBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-2-11-23-12-10-16-4-3-5-17(21(16)23)14-26-18-8-6-15(19(22)13-18)7-9-20(24)25/h3-6,8,13H,2,7,9-12,14H2,1H3,(H,24,25).
What are the key properties of 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid?
3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid has a molecular weight of 357.43 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[(1-propyl-2,3-dihydroindol-7-yl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 59368758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).