(1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol

C18H18FNO3 — CID 135124160

IUPAC(1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c(-c3ccc(O[C@@H]4CCOC4)nc3)ccc(F)c21
InChIInChI=1S/C18H18FNO3/c19-15-4-2-13(14-3-5-16(21)18(14)15)11-1-6-17(20-9-11)23-12-7-8-22-10-12/h1-2,4,6,9,12,16,21H,3,5,7-8,10H2/t12-,16+/m1/s1
InChIKeyAZUXLNPODRJIAT-WBMJQRKESA-N
MW315.34 g/mol
LogP3.04
Rot. Bonds3

About (1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol

(1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 135124160) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID135124160
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c(-c3ccc(O[C@@H]4CCOC4)nc3)ccc(F)c21
InChIInChI=1S/C18H18FNO3/c19-15-4-2-13(14-3-5-16(21)18(14)15)11-1-6-17(20-9-11)23-12-7-8-22-10-12/h1-2,4,6,9,12,16,21H,3,5,7-8,10H2/t12-,16+/m1/s1
InChIKeyAZUXLNPODRJIAT-WBMJQRKESA-N
XLogP3.04
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol (CID 135124160) is (1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol is O[C@H]1CCc2c(-c3ccc(O[C@@H]4CCOC4)nc3)ccc(F)c21.
What is the InChIKey of (1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is AZUXLNPODRJIAT-WBMJQRKESA-N. The full InChI is InChI=1S/C18H18FNO3/c19-15-4-2-13(14-3-5-16(21)18(14)15)11-1-6-17(20-9-11)23-12-7-8-22-10-12/h1-2,4,6,9,12,16,21H,3,5,7-8,10H2/t12-,16+/m1/s1.
What are the key properties of (1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol?
(1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 315.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-fluoro-4-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 135124160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).