2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

C22H23NO4 — CID 24776394

IUPAC2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc4cc[nH]c4c3)ccc21
InChIInChI=1S/C22H23NO4/c24-22(25)13-17-3-2-16-12-18(6-7-20(16)17)26-10-1-11-27-19-5-4-15-8-9-23-21(15)14-19/h4-9,12,14,17,23H,1-3,10-11,13H2,(H,24,25)/t17-/m0/s1
InChIKeyCCVHGXZXEPGAEU-KRWDZBQOSA-N
MW365.43 g/mol
LogP4.52
Rot. Bonds8

About 2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 24776394) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
PubChem CID24776394
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc4cc[nH]c4c3)ccc21
InChIInChI=1S/C22H23NO4/c24-22(25)13-17-3-2-16-12-18(6-7-20(16)17)26-10-1-11-27-19-5-4-15-8-9-23-21(15)14-19/h4-9,12,14,17,23H,1-3,10-11,13H2,(H,24,25)/t17-/m0/s1
InChIKeyCCVHGXZXEPGAEU-KRWDZBQOSA-N
XLogP4.52
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The IUPAC name of 2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 24776394) is 2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.
What is the SMILES notation for 2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The canonical SMILES for 2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc4cc[nH]c4c3)ccc21.
What is the InChIKey of 2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The InChIKey is CCVHGXZXEPGAEU-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23NO4/c24-22(25)13-17-3-2-16-12-18(6-7-20(16)17)26-10-1-11-27-19-5-4-15-8-9-23-21(15)14-19/h4-9,12,14,17,23H,1-3,10-11,13H2,(H,24,25)/t17-/m0/s1.
What are the key properties of 2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 365.43 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-5-[3-(1H-indol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 24776394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).