2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C20H18F2O5 — CID 57343791

IUPAC2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(OC(F)F)cccc43)ccc21
InChIInChI=1S/C20H18F2O5/c21-20(22)27-16-3-1-2-14-15(16)6-7-17(14)26-12-4-5-13-11(8-19(23)24)10-25-18(13)9-12/h1-5,9,11,17,20H,6-8,10H2,(H,23,24)/t11-,17-/m1/s1
InChIKeyADIFPAFMCBZWOD-PIGZYNQJSA-N
MW376.36 g/mol
LogP4.30
Rot. Bonds6

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

2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 57343791) has the molecular formula C20H18F2O5 and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID57343791
Molecular FormulaC20H18F2O5
Molecular Weight376.36 g/mol
Exact Mass376.11
IUPAC Name2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(OC(F)F)cccc43)ccc21
InChIInChI=1S/C20H18F2O5/c21-20(22)27-16-3-1-2-14-15(16)6-7-17(14)26-12-4-5-13-11(8-19(23)24)10-25-18(13)9-12/h1-5,9,11,17,20H,6-8,10H2,(H,23,24)/t11-,17-/m1/s1
InChIKeyADIFPAFMCBZWOD-PIGZYNQJSA-N
XLogP4.30
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

DS-1558
CID 45107312
2-((S)-6-((R)-7-Fluoro-4-(4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl)-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetic acid
CID 71738995
2-[(1S)-5-{3-[2-propyl-4-(trifluoromethyl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10455681
2-[(1S)-5-{3-[4-(trifluoromethyl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110419
2-[(1S)-5-{3-[4-(trifluoromethoxy)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110512
2-[(1S)-5-[3-(3-methoxyphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110515
2-[6-[[3-(2,6-Dimethyl-4-phenylmethoxyphenyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111682
2-[6-[[3-(2,4-Dimethylphenyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111689
2-[6-[[3-(2,6-Dimethylphenyl)-4-methoxyphenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111693
2-[6-[[3-(2,6-Dimethylphenyl)-4-phenylmethoxyphenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111694
2-[6-[[3-[4-(2-Ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111734
2-[6-[[3-(2,4,6-Trimethylphenyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 23111766

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 57343791) is 2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is O=C(O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(OC(F)F)cccc43)ccc21.
What is the InChIKey of 2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is ADIFPAFMCBZWOD-PIGZYNQJSA-N. The full InChI is InChI=1S/C20H18F2O5/c21-20(22)27-16-3-1-2-14-15(16)6-7-17(14)26-12-4-5-13-11(8-19(23)24)10-25-18(13)9-12/h1-5,9,11,17,20H,6-8,10H2,(H,23,24)/t11-,17-/m1/s1.
What are the key properties of 2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 376.36 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-6-[[(1R)-4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 57343791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).