[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol

C16H23NO3 — CID 102898657

IUPAC[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol
SMILESCc1ccc(OCC2CCC3(CCCC3)O2)c(CO)n1
InChIInChI=1S/C16H23NO3/c1-12-4-5-15(14(10-18)17-12)19-11-13-6-9-16(20-13)7-2-3-8-16/h4-5,13,18H,2-3,6-11H2,1H3
InChIKeyWPADOWNELUXRQT-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.75
Rot. Bonds4

About [6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol

[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol (PubChem CID 102898657) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol
PubChem CID102898657
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol
SMILESCc1ccc(OCC2CCC3(CCCC3)O2)c(CO)n1
InChIInChI=1S/C16H23NO3/c1-12-4-5-15(14(10-18)17-12)19-11-13-6-9-16(20-13)7-2-3-8-16/h4-5,13,18H,2-3,6-11H2,1H3
InChIKeyWPADOWNELUXRQT-UHFFFAOYSA-N
XLogP2.75
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol with MolForge

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Related Compounds

[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898603
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
3-methyl-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896191
2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine
CID 116522398
[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 107698517
(1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898677
2-[(2-bromo-4-methylphenoxy)methyl]-1-oxaspiro[4.5]decane
CID 102898163
5-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102896216
[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898609
2-[(5-bromo-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107284220
[3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 102898668
5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896116

Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol?
The IUPAC name of [6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol (CID 102898657) is [6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol is Cc1ccc(OCC2CCC3(CCCC3)O2)c(CO)n1.
What is the InChIKey of [6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol?
The InChIKey is WPADOWNELUXRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-4-5-15(14(10-18)17-12)19-11-13-6-9-16(20-13)7-2-3-8-16/h4-5,13,18H,2-3,6-11H2,1H3.
What are the key properties of [6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol?
[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol has a molecular weight of 277.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 102898657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).