(1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol

C19H22FNO4 — CID 122666338

IUPAC(1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)(O)CCOc1ccc(Oc2ccc(F)c3c2CC[C@H]3O)nc1
InChIInChI=1S/C19H22FNO4/c1-19(2,23)9-10-24-12-3-8-17(21-11-12)25-16-7-5-14(20)18-13(16)4-6-15(18)22/h3,5,7-8,11,15,22-23H,4,6,9-10H2,1-2H3/t15-/m1/s1
InChIKeyVOYMNUMAJVXFMU-OAHLLOKOSA-N
MW347.39 g/mol
LogP3.53
Rot. Bonds6

About (1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol

(1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 122666338) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is (1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID122666338
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name(1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)(O)CCOc1ccc(Oc2ccc(F)c3c2CC[C@H]3O)nc1
InChIInChI=1S/C19H22FNO4/c1-19(2,23)9-10-24-12-3-8-17(21-11-12)25-16-7-5-14(20)18-13(16)4-6-15(18)22/h3,5,7-8,11,15,22-23H,4,6,9-10H2,1-2H3/t15-/m1/s1
InChIKeyVOYMNUMAJVXFMU-OAHLLOKOSA-N
XLogP3.53
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol (CID 122666338) is (1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol is CC(C)(O)CCOc1ccc(Oc2ccc(F)c3c2CC[C@H]3O)nc1.
What is the InChIKey of (1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is VOYMNUMAJVXFMU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-19(2,23)9-10-24-12-3-8-17(21-11-12)25-16-7-5-14(20)18-13(16)4-6-15(18)22/h3,5,7-8,11,15,22-23H,4,6,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol?
(1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 347.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 122666338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).