(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol

C17H24O4 — CID 79899366

IUPAC(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C17H24O4/c1-2-15(18)14-5-3-4-6-16(14)21-13-7-9-20-17(11-13)8-10-19-12-17/h3-6,13,15,18H,2,7-12H2,1H3/t13?,15-,17?/m0/s1
InChIKeyPXPYMCFJUWMZSP-GULBITTBSA-N
MW292.37 g/mol
LogP2.85
Rot. Bonds4

About (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol

(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol (PubChem CID 79899366) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol
PubChem CID79899366
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C17H24O4/c1-2-15(18)14-5-3-4-6-16(14)21-13-7-9-20-17(11-13)8-10-19-12-17/h3-6,13,15,18H,2,7-12H2,1H3/t13?,15-,17?/m0/s1
InChIKeyPXPYMCFJUWMZSP-GULBITTBSA-N
XLogP2.85
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine
CID 79908209
1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine
CID 79899561
(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol
CID 107135067
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
1-(2-cyclopentyloxyphenyl)propan-1-ol
CID 43503588
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide
CID 79902453
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine
CID 79900742
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-fluorobenzenecarbothioamide
CID 79901370
4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 79905383
[3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methoxyphenyl]methanol
CID 79898781
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methoxyphenyl]methanol
CID 79898778
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol (CID 79899366) is (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol is CC[C@H](O)c1ccccc1OC1CCOC2(CCOC2)C1.
What is the InChIKey of (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol?
The InChIKey is PXPYMCFJUWMZSP-GULBITTBSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-15(18)14-5-3-4-6-16(14)21-13-7-9-20-17(11-13)8-10-19-12-17/h3-6,13,15,18H,2,7-12H2,1H3/t13?,15-,17?/m0/s1.
What are the key properties of (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol?
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol has a molecular weight of 292.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 79899366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).