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

C22H24O4 — CID 71059168

IUPAC2-[6-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCC(C)c1cccc2c1CC[C@H]2Oc1ccc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C22H24O4/c1-13(2)16-4-3-5-19-18(16)8-9-20(19)26-15-6-7-17-14(10-22(23)24)12-25-21(17)11-15/h3-7,11,13-14,20H,8-10,12H2,1-2H3,(H,23,24)/t14?,20-/m1/s1
InChIKeyIESXBMRVMUKOGH-YBMSBYLISA-N
MW352.43 g/mol
LogP4.83
Rot. Bonds5

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

2-[6-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 71059168) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[6-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID71059168
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name2-[6-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCC(C)c1cccc2c1CC[C@H]2Oc1ccc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C22H24O4/c1-13(2)16-4-3-5-19-18(16)8-9-20(19)26-15-6-7-17-14(10-22(23)24)12-25-21(17)11-15/h3-7,11,13-14,20H,8-10,12H2,1-2H3,(H,23,24)/t14?,20-/m1/s1
InChIKeyIESXBMRVMUKOGH-YBMSBYLISA-N
XLogP4.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[6-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 71059168) is 2-[6-[[(1R)-4-propan-2-yl-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-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[6-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is CC(C)c1cccc2c1CC[C@H]2Oc1ccc2c(c1)OCC2CC(=O)O.
What is the InChIKey of 2-[6-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is IESXBMRVMUKOGH-YBMSBYLISA-N. The full InChI is InChI=1S/C22H24O4/c1-13(2)16-4-3-5-19-18(16)8-9-20(19)26-15-6-7-17-14(10-22(23)24)12-25-21(17)11-15/h3-7,11,13-14,20H,8-10,12H2,1-2H3,(H,23,24)/t14?,20-/m1/s1.
What are the key properties of 2-[6-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[6-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 352.43 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 71059168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).