1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol

C18H25FO2 — CID 79900028

IUPAC1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
SMILESCC(O)(c1cccc(F)c1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H25FO2/c1-17(20,14-6-5-7-16(19)12-14)15-8-11-21-18(13-15)9-3-2-4-10-18/h5-7,12,15,20H,2-4,8-11,13H2,1H3
InChIKeyBILAALSJSJEXSE-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.16
Rot. Bonds2

About 1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol

1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol (PubChem CID 79900028) has the molecular formula C18H25FO2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
PubChem CID79900028
Molecular FormulaC18H25FO2
Molecular Weight292.39 g/mol
Exact Mass292.18
IUPAC Name1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
SMILESCC(O)(c1cccc(F)c1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H25FO2/c1-17(20,14-6-5-7-16(19)12-14)15-8-11-21-18(13-15)9-3-2-4-10-18/h5-7,12,15,20H,2-4,8-11,13H2,1H3
InChIKeyBILAALSJSJEXSE-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol
CID 79900027
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-(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
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79898549
1-(3-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 114872541
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
1-(2,4-dichloro-5-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79902299
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine
CID 114833718
1-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79912639

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol (CID 79900028) is 1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol is CC(O)(c1cccc(F)c1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
The InChIKey is BILAALSJSJEXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO2/c1-17(20,14-6-5-7-16(19)12-14)15-8-11-21-18(13-15)9-3-2-4-10-18/h5-7,12,15,20H,2-4,8-11,13H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol?
1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol has a molecular weight of 292.39 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol is sourced from PubChem (CID 79900028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).