3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid

C23H25FO4 — CID 58566792

About 3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid

3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid (PubChem CID 58566792) has the molecular formula C23H25FO4 and a molecular weight of 384.45 g/mol. Its IUPAC name is 3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid
• PubChem CID: 58566792
• Molecular Formula: C23H25FO4
• Molecular Weight: 384.45 g/mol
• Exact Mass: 384.17
• IUPAC Name: 3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid
• SMILES: CC1(C)Cc2cc(F)cc(COc3ccc(CCC(=O)O)c4c3CCC4)c2O1
• InChI: InChI=1S/C23H25FO4/c1-23(2)12-15-10-17(24)11-16(22(15)28-23)13-27-20-8-6-14(7-9-21(25)26)18-4-3-5-19(18)20/h6,8,10-11H,3-5,7,9,12-13H2,1-2H3,(H,25,26)
• InChIKey: SWQJQHUVNXHHNH-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.45
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid?

The IUPAC name of 3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid (CID 58566792) is 3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid.

What is the SMILES notation for 3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid?

The canonical SMILES for 3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid is CC1(C)Cc2cc(F)cc(COc3ccc(CCC(=O)O)c4c3CCC4)c2O1.

What is the InChIKey of 3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid?

The InChIKey is SWQJQHUVNXHHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FO4/c1-23(2)12-15-10-17(24)11-16(22(15)28-23)13-27-20-8-6-14(7-9-21(25)26)18-4-3-5-19(18)20/h6,8,10-11H,3-5,7,9,12-13H2,1-2H3,(H,25,26).

What are the key properties of 3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid?

3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid has a molecular weight of 384.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[(5-fluoro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid is sourced from PubChem (CID 58566792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).