2-[(3S)-6-[[(1R)-4-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C48H54O10 — CID 162195872

About 2-[(3S)-6-[[(1R)-4-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[(3S)-6-[[(1R)-4-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 162195872) has the molecular formula C48H54O10 and a molecular weight of 790.95 g/mol. Its IUPAC name is 2-[(3S)-6-[[(1R)-4-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(3S)-6-[[(1R)-4-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
• PubChem CID: 162195872
• Molecular Formula: C48H54O10
• Molecular Weight: 790.95 g/mol
• Exact Mass: 790.37
• IUPAC Name: 2-[(3S)-6-[[(1R)-4-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
• SMILES: COCC(C)(C)c1cccc2c1CC[C@H]2Oc1ccc2c(c1)OC[C@H]2CC(=O)O.COCC1(c2cccc3c2CC[C@H]3Oc2ccc3c(c2)OC[C@H]3CC(=O)O)CC1
• InChI: InChI=1S/C24H26O5.C24H28O5/c1-27-14-24(9-10-24)20-4-2-3-19-18(20)7-8-21(19)29-16-5-6-17-15(11-23(25)26)13-28-22(17)12-16;1-24(2,14-27-3)20-6-4-5-19-18(20)9-10-21(19)29-16-7-8-17-15(11-23(25)26)13-28-22(17)12-16/h2-6,12,15,21H,7-11,13-14H2,1H3,(H,25,26);4-8,12,15,21H,9-11,13-14H2,1-3H3,(H,25,26)/t2*15-,21-/m11/s1
• InChIKey: ZQXSSRJQGLVOHZ-DJULBYIZSA-N
• XLogP: 9.01
• TPSA: 129.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.95
LogP ≤ 5	9.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-6-[[(1R)-4-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-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-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 162195872) is 2-[(3S)-6-[[(1R)-4-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-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-[(3S)-6-[[(1R)-4-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-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-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is COCC(C)(C)c1cccc2c1CC[C@H]2Oc1ccc2c(c1)OC[C@H]2CC(=O)O.COCC1(c2cccc3c2CC[C@H]3Oc2ccc3c(c2)OC[C@H]3CC(=O)O)CC1.

What is the InChIKey of 2-[(3S)-6-[[(1R)-4-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?

The InChIKey is ZQXSSRJQGLVOHZ-DJULBYIZSA-N. The full InChI is InChI=1S/C24H26O5.C24H28O5/c1-27-14-24(9-10-24)20-4-2-3-19-18(20)7-8-21(19)29-16-5-6-17-15(11-23(25)26)13-28-22(17)12-16;1-24(2,14-27-3)20-6-4-5-19-18(20)9-10-21(19)29-16-7-8-17-15(11-23(25)26)13-28-22(17)12-16/h2-6,12,15,21H,7-11,13-14H2,1H3,(H,25,26);4-8,12,15,21H,9-11,13-14H2,1-3H3,(H,25,26)/t2*15-,21-/m11/s1.

What are the key properties of 2-[(3S)-6-[[(1R)-4-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?

2-[(3S)-6-[[(1R)-4-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 790.95 g/mol, XLogP of 9.01, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-6-[[(1R)-4-[1-(methoxymethyl)cyclopropyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-(1-methoxy-2-methylpropan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 162195872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).