3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol

C17H23FO2 — CID 107662269

IUPAC3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol
SMILESCc1cccc(OC2CC(O)C23CCCCCC3)c1F
InChIInChI=1S/C17H23FO2/c1-12-7-6-8-13(16(12)18)20-15-11-14(19)17(15)9-4-2-3-5-10-17/h6-8,14-15,19H,2-5,9-11H2,1H3
InChIKeyUPVWUFBARBQASD-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.99
Rot. Bonds2

About 3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol

3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol (PubChem CID 107662269) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol.

Molecular Properties

Compound Name3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol
PubChem CID107662269
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol
SMILESCc1cccc(OC2CC(O)C23CCCCCC3)c1F
InChIInChI=1S/C17H23FO2/c1-12-7-6-8-13(16(12)18)20-15-11-14(19)17(15)9-4-2-3-5-10-17/h6-8,14-15,19H,2-5,9-11H2,1H3
InChIKeyUPVWUFBARBQASD-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol
CID 66367281
3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane
CID 107662297
3-(2-fluorophenoxy)spiro[3.6]decan-1-ol
CID 66366664
N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine
CID 107662355
3-(2-fluoro-5-methylphenoxy)spiro[3.6]decan-1-ol
CID 66344599
3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol
CID 66368938
3-(2-bromo-4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367535
3-(4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367094
3-bromo-1-(2,3-dimethylphenoxy)spiro[3.6]decane
CID 66344194
3-(2-nitrophenoxy)spiro[3.5]nonan-1-ol
CID 66366465
3-bromo-1-(2,3-difluorophenoxy)spiro[3.4]octane
CID 66343922
3-(4-chloro-3-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367315

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol?
The IUPAC name of 3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol (CID 107662269) is 3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol.
What is the SMILES notation for 3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol?
The canonical SMILES for 3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol is Cc1cccc(OC2CC(O)C23CCCCCC3)c1F.
What is the InChIKey of 3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol?
The InChIKey is UPVWUFBARBQASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO2/c1-12-7-6-8-13(16(12)18)20-15-11-14(19)17(15)9-4-2-3-5-10-17/h6-8,14-15,19H,2-5,9-11H2,1H3.
What are the key properties of 3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol?
3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol has a molecular weight of 278.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol is sourced from PubChem (CID 107662269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).