1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol

C16H22O3 — CID 79913271

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H22O3/c17-15(10-13-4-2-1-3-5-13)14-6-8-19-16(11-14)7-9-18-12-16/h1-5,14-15,17H,6-12H2
InChIKeyCEMRQMNPDYAQGD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.18
Rot. Bonds3

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol (PubChem CID 79913271) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
PubChem CID79913271
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H22O3/c17-15(10-13-4-2-1-3-5-13)14-6-8-19-16(11-14)7-9-18-12-16/h1-5,14-15,17H,6-12H2
InChIKeyCEMRQMNPDYAQGD-UHFFFAOYSA-N
XLogP2.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79909984
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyridin-2-ylethanol
CID 79921089
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol
CID 79921737
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913679
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(3-methylphenyl)propan-1-ol
CID 105116440
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol
CID 79899907
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one
CID 104844951
2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909726
2-(cyclopropylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79923466

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol (CID 79913271) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol is OC(Cc1ccccc1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol?
The InChIKey is CEMRQMNPDYAQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c17-15(10-13-4-2-1-3-5-13)14-6-8-19-16(11-14)7-9-18-12-16/h1-5,14-15,17H,6-12H2.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol has a molecular weight of 262.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol is sourced from PubChem (CID 79913271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).