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

C23H24O4 — CID 67951069

IUPAC2-[(3S)-6-[[(1R)-4-(1-methylcyclopropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCC1(c2cccc3c2CC[C@H]3Oc2ccc3c(c2)OC[C@H]3CC(=O)O)CC1
InChIInChI=1S/C23H24O4/c1-23(9-10-23)19-4-2-3-18-17(19)7-8-20(18)27-15-5-6-16-14(11-22(24)25)13-26-21(16)12-15/h2-6,12,14,20H,7-11,13H2,1H3,(H,24,25)/t14-,20-/m1/s1
InChIKeyNNSABDCWDHQXPT-JLTOFOAXSA-N
MW364.44 g/mol
LogP4.76
Rot. Bonds5

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

2-[(3S)-6-[[(1R)-4-(1-methylcyclopropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 67951069) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[(3S)-6-[[(1R)-4-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID67951069
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name2-[(3S)-6-[[(1R)-4-(1-methylcyclopropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCC1(c2cccc3c2CC[C@H]3Oc2ccc3c(c2)OC[C@H]3CC(=O)O)CC1
InChIInChI=1S/C23H24O4/c1-23(9-10-23)19-4-2-3-18-17(19)7-8-20(18)27-15-5-6-16-14(11-22(24)25)13-26-21(16)12-15/h2-6,12,14,20H,7-11,13H2,1H3,(H,24,25)/t14-,20-/m1/s1
InChIKeyNNSABDCWDHQXPT-JLTOFOAXSA-N
XLogP4.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-6-[[(1R)-4-(1-methylcyclopropyl)-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-methylcyclopropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 67951069) is 2-[(3S)-6-[[(1R)-4-(1-methylcyclopropyl)-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-methylcyclopropyl)-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-methylcyclopropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is CC1(c2cccc3c2CC[C@H]3Oc2ccc3c(c2)OC[C@H]3CC(=O)O)CC1.
What is the InChIKey of 2-[(3S)-6-[[(1R)-4-(1-methylcyclopropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is NNSABDCWDHQXPT-JLTOFOAXSA-N. The full InChI is InChI=1S/C23H24O4/c1-23(9-10-23)19-4-2-3-18-17(19)7-8-20(18)27-15-5-6-16-14(11-22(24)25)13-26-21(16)12-15/h2-6,12,14,20H,7-11,13H2,1H3,(H,24,25)/t14-,20-/m1/s1.
What are the key properties of 2-[(3S)-6-[[(1R)-4-(1-methylcyclopropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[(3S)-6-[[(1R)-4-(1-methylcyclopropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 364.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-6-[[(1R)-4-(1-methylcyclopropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 67951069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).