5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol

C20H24FNO2 — CID 126703230

IUPAC5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol
SMILESCC(C)(O)CCCc1ccc(Oc2ccc(F)c3c2CCC3)nc1
InChIInChI=1S/C20H24FNO2/c1-20(2,23)12-4-5-14-8-11-19(22-13-14)24-18-10-9-17(21)15-6-3-7-16(15)18/h8-11,13,23H,3-7,12H2,1-2H3
InChIKeyXPHCMIYOAGVWOW-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.60
Rot. Bonds6

About 5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol

5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol (PubChem CID 126703230) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol
PubChem CID126703230
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol
SMILESCC(C)(O)CCCc1ccc(Oc2ccc(F)c3c2CCC3)nc1
InChIInChI=1S/C20H24FNO2/c1-20(2,23)12-4-5-14-8-11-19(22-13-14)24-18-10-9-17(21)15-6-3-7-16(15)18/h8-11,13,23H,3-7,12H2,1-2H3
InChIKeyXPHCMIYOAGVWOW-UHFFFAOYSA-N
XLogP4.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol?
The IUPAC name of 5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol (CID 126703230) is 5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol.
What is the SMILES notation for 5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol?
The canonical SMILES for 5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol is CC(C)(O)CCCc1ccc(Oc2ccc(F)c3c2CCC3)nc1.
What is the InChIKey of 5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol?
The InChIKey is XPHCMIYOAGVWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-20(2,23)12-4-5-14-8-11-19(22-13-14)24-18-10-9-17(21)15-6-3-7-16(15)18/h8-11,13,23H,3-7,12H2,1-2H3.
What are the key properties of 5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol?
5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol has a molecular weight of 329.42 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-methylpentan-2-ol is sourced from PubChem (CID 126703230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).