2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol

C18H25FO2 — CID 79909967

IUPAC2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
SMILESOC(Cc1ccccc1F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H25FO2/c19-16-7-3-2-6-14(16)12-17(20)15-8-11-21-18(13-15)9-4-1-5-10-18/h2-3,6-7,15,17,20H,1,4-5,8-13H2
InChIKeyYNTWHQGSIYTUKL-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.86
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol

2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol (PubChem CID 79909967) has the molecular formula C18H25FO2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
PubChem CID79909967
Molecular FormulaC18H25FO2
Molecular Weight292.39 g/mol
Exact Mass292.18
IUPAC Name2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
SMILESOC(Cc1ccccc1F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H25FO2/c19-16-7-3-2-6-14(16)12-17(20)15-8-11-21-18(13-15)9-4-1-5-10-18/h2-3,6-7,15,17,20H,1,4-5,8-13H2
InChIKeyYNTWHQGSIYTUKL-UHFFFAOYSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79914933
2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909726
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79912806
[2-(2,3-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105322187
1-(2,6-difluorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79907559
2-(2-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79914735
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylbutan-1-ol
CID 79913678
2-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79908148

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The IUPAC name of 2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol (CID 79909967) is 2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The canonical SMILES for 2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol is OC(Cc1ccccc1F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The InChIKey is YNTWHQGSIYTUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO2/c19-16-7-3-2-6-14(16)12-17(20)15-8-11-21-18(13-15)9-4-1-5-10-18/h2-3,6-7,15,17,20H,1,4-5,8-13H2.
What are the key properties of 2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol has a molecular weight of 292.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol is sourced from PubChem (CID 79909967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).