1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol

C16H21FO3 — CID 79900027

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol
SMILESCC(O)(c1cccc(F)c1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H21FO3/c1-15(18,12-3-2-4-14(17)9-12)13-5-7-20-16(10-13)6-8-19-11-16/h2-4,9,13,18H,5-8,10-11H2,1H3
InChIKeyBTAUZFWUTWOLEU-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.62
Rot. Bonds2

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

1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol (PubChem CID 79900027) has the molecular formula C16H21FO3 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol
PubChem CID79900027
Molecular FormulaC16H21FO3
Molecular Weight280.34 g/mol
Exact Mass280.15
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol
SMILESCC(O)(c1cccc(F)c1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H21FO3/c1-15(18,12-3-2-4-14(17)9-12)13-5-7-20-16(10-13)6-8-19-11-16/h2-4,9,13,18H,5-8,10-11H2,1H3
InChIKeyBTAUZFWUTWOLEU-UHFFFAOYSA-N
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79900028
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79902291
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol
CID 79899168
1-(3-chlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79899151
1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902533
1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 114872541
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79899154
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81365301
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine
CID 79907776
1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79900340
1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902301

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol (CID 79900027) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol is CC(O)(c1cccc(F)c1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol?
The InChIKey is BTAUZFWUTWOLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO3/c1-15(18,12-3-2-4-14(17)9-12)13-5-7-20-16(10-13)6-8-19-11-16/h2-4,9,13,18H,5-8,10-11H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol has a molecular weight of 280.34 g/mol, XLogP of 2.62, 2 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)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 79900027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).