[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol

C16H22O3 — CID 102898603

IUPAC[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
SMILESOCc1ccccc1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H22O3/c17-11-13-5-1-2-6-15(13)18-12-14-7-10-16(19-14)8-3-4-9-16/h1-2,5-6,14,17H,3-4,7-12H2
InChIKeySXZFWZWXMCUBMN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.05
Rot. Bonds4

About [2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol

[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol (PubChem CID 102898603) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
PubChem CID102898603
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
SMILESOCc1ccccc1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H22O3/c17-11-13-5-1-2-6-15(13)18-12-14-7-10-16(19-14)8-3-4-9-16/h1-2,5-6,14,17H,3-4,7-12H2
InChIKeySXZFWZWXMCUBMN-UHFFFAOYSA-N
XLogP3.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 107698517
[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898609
[3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898673
[3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 102898668
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898614
[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol
CID 102898657
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
CID 102898342
[2-(1,3-dioxolan-4-ylmethoxy)phenyl]methanol
CID 86810362
2-[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanol
CID 107713050
4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896120

Frequently Asked Questions

What is the IUPAC name of [2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol (CID 102898603) is [2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol is OCc1ccccc1OCC1CCC2(CCCC2)O1.
What is the InChIKey of [2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol?
The InChIKey is SXZFWZWXMCUBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c17-11-13-5-1-2-6-15(13)18-12-14-7-10-16(19-14)8-3-4-9-16/h1-2,5-6,14,17H,3-4,7-12H2.
What are the key properties of [2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol?
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol has a molecular weight of 262.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 102898603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).