2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C22H22F2O5 — CID 57345378

IUPAC2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCOC(c1cccc2c1CCC2Oc1ccc2c(c1)OCC2CC(=O)O)C(F)F
InChIInChI=1S/C22H22F2O5/c1-27-21(22(23)24)17-4-2-3-16-15(17)7-8-18(16)29-13-5-6-14-12(9-20(25)26)11-28-19(14)10-13/h2-6,10,12,18,21-22H,7-9,11H2,1H3,(H,25,26)
InChIKeyGPOPXGLBGYXSHV-UHFFFAOYSA-N
MW404.41 g/mol
LogP4.66
Rot. Bonds7

About 2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 57345378) has the molecular formula C22H22F2O5 and a molecular weight of 404.41 g/mol. Its IUPAC name is 2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID57345378
Molecular FormulaC22H22F2O5
Molecular Weight404.41 g/mol
Exact Mass404.14
IUPAC Name2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCOC(c1cccc2c1CCC2Oc1ccc2c(c1)OCC2CC(=O)O)C(F)F
InChIInChI=1S/C22H22F2O5/c1-27-21(22(23)24)17-4-2-3-16-15(17)7-8-18(16)29-13-5-6-14-12(9-20(25)26)11-28-19(14)10-13/h2-6,10,12,18,21-22H,7-9,11H2,1H3,(H,25,26)
InChIKeyGPOPXGLBGYXSHV-UHFFFAOYSA-N
XLogP4.66
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 57345378) is 2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is COC(c1cccc2c1CCC2Oc1ccc2c(c1)OCC2CC(=O)O)C(F)F.
What is the InChIKey of 2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is GPOPXGLBGYXSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2O5/c1-27-21(22(23)24)17-4-2-3-16-15(17)7-8-18(16)29-13-5-6-14-12(9-20(25)26)11-28-19(14)10-13/h2-6,10,12,18,21-22H,7-9,11H2,1H3,(H,25,26).
What are the key properties of 2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 404.41 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 57345378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).