1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol

C17H24O3 — CID 79921809

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol
SMILESOC(CCOc1ccccc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H24O3/c18-16(8-11-19-15-5-2-1-3-6-15)14-7-12-20-17(13-14)9-4-10-17/h1-3,5-6,14,16,18H,4,7-13H2
InChIKeySAZRMVUJCZVCAZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.17
Rot. Bonds5

About 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol

1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol (PubChem CID 79921809) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol
PubChem CID79921809
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol
SMILESOC(CCOc1ccccc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H24O3/c18-16(8-11-19-15-5-2-1-3-6-15)14-7-12-20-17(13-14)9-4-10-17/h1-3,5-6,14,16,18H,4,7-13H2
InChIKeySAZRMVUJCZVCAZ-UHFFFAOYSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-yl)-3-phenoxypropan-1-ol
CID 63565308
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
2-(3-chlorophenoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 105112683
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol
CID 79913678
2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 105116183
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899028
5-oxaspiro[3.5]nonan-8-yl-(2-phenylcyclopropyl)methanol
CID 115819710
2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909967
5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine
CID 105010167
3-cyclopentyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-ol
CID 115823243

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol (CID 79921809) is 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol is OC(CCOc1ccccc1)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol?
The InChIKey is SAZRMVUJCZVCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c18-16(8-11-19-15-5-2-1-3-6-15)14-7-12-20-17(13-14)9-4-10-17/h1-3,5-6,14,16,18H,4,7-13H2.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol?
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol is sourced from PubChem (CID 79921809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).