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

C19H22FNO3 — CID 126703236

IUPAC4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1ccc(Oc2ccc(F)c3c2CCC3)nc1
InChIInChI=1S/C19H22FNO3/c1-19(2,22)10-11-23-13-6-9-18(21-12-13)24-17-8-7-16(20)14-4-3-5-15(14)17/h6-9,12,22H,3-5,10-11H2,1-2H3
InChIKeyXZBOPYFIEZDADF-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.04
Rot. Bonds6

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

4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol (PubChem CID 126703236) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol
PubChem CID126703236
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1ccc(Oc2ccc(F)c3c2CCC3)nc1
InChIInChI=1S/C19H22FNO3/c1-19(2,22)10-11-23-13-6-9-18(21-12-13)24-17-8-7-16(20)14-4-3-5-15(14)17/h6-9,12,22H,3-5,10-11H2,1-2H3
InChIKeyXZBOPYFIEZDADF-UHFFFAOYSA-N
XLogP4.04
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
(3-Pyridylmethylene)indane 26a
CID 6539776
[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 10020030
2-[3-(Pyridin-2-ylmethoxy)phenyl]heptan-2-ol
CID 14349154
1,3,3,4,4-pentafluoro-7-((5-fluoropyridin-3-yl)oxy)-1,2,3,4-tetrahydro-2aH-cyclopenta[cd]inden-2a-ol
CID 155214337
(3-Pyridylmethylene)indane 20a
CID 6539779
4-(4-Methoxy-indan-2-ylmethyl)-pyridine
CID 10466775
2-[[3-[(2-Methoxyfluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine
CID 164617324
9-[[2-(2-Aminoethoxy)-3-pyridinyl]methylidene]fluoren-2-ol
CID 164623140
(5S)-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
CID 155344286
(5R)-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-3-pyridin-3-yloxy-4,5-dihydro-1,2-oxazole
CID 155344579

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol (CID 126703236) is 4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol is CC(C)(O)CCOc1ccc(Oc2ccc(F)c3c2CCC3)nc1.
What is the InChIKey of 4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol?
The InChIKey is XZBOPYFIEZDADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-19(2,22)10-11-23-13-6-9-18(21-12-13)24-17-8-7-16(20)14-4-3-5-15(14)17/h6-9,12,22H,3-5,10-11H2,1-2H3.
What are the key properties of 4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol?
4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol has a molecular weight of 331.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol is sourced from PubChem (CID 126703236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).