[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol

C17H23FO3 — CID 107698517

IUPAC[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
SMILESOCc1cc(F)ccc1OCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H23FO3/c18-14-4-5-16(13(10-14)11-19)20-12-15-6-9-17(21-15)7-2-1-3-8-17/h4-5,10,15,19H,1-3,6-9,11-12H2
InChIKeyBGUTXXXAMNHBAQ-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.58
Rot. Bonds4

About [5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol

[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol (PubChem CID 107698517) has the molecular formula C17H23FO3 and a molecular weight of 294.37 g/mol. Its IUPAC name is [5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
PubChem CID107698517
Molecular FormulaC17H23FO3
Molecular Weight294.37 g/mol
Exact Mass294.16
IUPAC Name[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
SMILESOCc1cc(F)ccc1OCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H23FO3/c18-14-4-5-16(13(10-14)11-19)20-12-15-6-9-17(21-15)7-2-1-3-8-17/h4-5,10,15,19H,1-3,6-9,11-12H2
InChIKeyBGUTXXXAMNHBAQ-UHFFFAOYSA-N
XLogP3.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898603
5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896169
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
4-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896119
[5-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]boronic acid
CID 102898830
4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896120
[3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898673
[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898609
[2-(cyclohexylmethoxy)-5-fluorophenyl]methanol
CID 107698568
[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol
CID 102898657
[3-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 102898668
3-methyl-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896191

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol (CID 107698517) is [5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol is OCc1cc(F)ccc1OCC1CCC2(CCCCC2)O1.
What is the InChIKey of [5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol?
The InChIKey is BGUTXXXAMNHBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO3/c18-14-4-5-16(13(10-14)11-19)20-12-15-6-9-17(21-15)7-2-1-3-8-17/h4-5,10,15,19H,1-3,6-9,11-12H2.
What are the key properties of [5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol?
[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol has a molecular weight of 294.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 107698517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).