[3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol

C16H21FO3 — CID 102898673

IUPAC[3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
SMILESOCc1cccc(F)c1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H21FO3/c17-14-5-3-4-12(10-18)15(14)19-11-13-6-9-16(20-13)7-1-2-8-16/h3-5,13,18H,1-2,6-11H2
InChIKeyMFWZURQYBIXQJE-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.19
Rot. Bonds4

About [3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol

[3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol (PubChem CID 102898673) has the molecular formula C16H21FO3 and a molecular weight of 280.34 g/mol. Its IUPAC name is [3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
PubChem CID102898673
Molecular FormulaC16H21FO3
Molecular Weight280.34 g/mol
Exact Mass280.15
IUPAC Name[3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
SMILESOCc1cccc(F)c1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H21FO3/c17-14-5-3-4-12(10-18)15(14)19-11-13-6-9-16(20-13)7-1-2-8-16/h3-5,13,18H,1-2,6-11H2
InChIKeyMFWZURQYBIXQJE-UHFFFAOYSA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 102898668
[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898609
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898603
[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 107698517
[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine
CID 102896074
[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896073
2-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898787
2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102898159
[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol
CID 102898657
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896120
(2-cyclopentyloxy-3-fluorophenyl)methanol
CID 112613227

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol (CID 102898673) is [3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol is OCc1cccc(F)c1OCC1CCC2(CCCC2)O1.
What is the InChIKey of [3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol?
The InChIKey is MFWZURQYBIXQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO3/c17-14-5-3-4-12(10-18)15(14)19-11-13-6-9-16(20-13)7-1-2-8-16/h3-5,13,18H,1-2,6-11H2.
What are the key properties of [3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol?
[3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol has a molecular weight of 280.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 102898673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).