3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol

C17H24O3 — CID 79923532

IUPAC3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol
SMILESOC(CCC1CCOC2(CCOC2)C1)c1ccccc1
InChIInChI=1S/C17H24O3/c18-16(15-4-2-1-3-5-15)7-6-14-8-10-20-17(12-14)9-11-19-13-17/h1-5,14,16,18H,6-13H2
InChIKeyHXPYKCGMXGXYGM-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.09
Rot. Bonds4

About 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol

3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol (PubChem CID 79923532) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol
PubChem CID79923532
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol
SMILESOC(CCC1CCOC2(CCOC2)C1)c1ccccc1
InChIInChI=1S/C17H24O3/c18-16(15-4-2-1-3-5-15)7-6-14-8-10-20-17(12-14)9-11-19-13-17/h1-5,14,16,18H,6-13H2
InChIKeyHXPYKCGMXGXYGM-UHFFFAOYSA-N
XLogP3.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine
CID 79922713
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine
CID 79923379
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine
CID 79924363
1-cyclopropyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 79924083
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine
CID 79922477
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol
CID 79899366
2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 79910044
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol
CID 105116440
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyridin-2-ylethanol
CID 79921089
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol
CID 79899907

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol?
The IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol (CID 79923532) is 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol is OC(CCC1CCOC2(CCOC2)C1)c1ccccc1.
What is the InChIKey of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol?
The InChIKey is HXPYKCGMXGXYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c18-16(15-4-2-1-3-5-15)7-6-14-8-10-20-17(12-14)9-11-19-13-17/h1-5,14,16,18H,6-13H2.
What are the key properties of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol?
3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 79923532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).