3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol

C17H23FO2 — CID 66345231

IUPAC3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol
SMILESOC1CC(OCc2ccccc2F)C12CCCCCC2
InChIInChI=1S/C17H23FO2/c18-14-8-4-3-7-13(14)12-20-16-11-15(19)17(16)9-5-1-2-6-10-17/h3-4,7-8,15-16,19H,1-2,5-6,9-12H2
InChIKeyJXDOUBQIVICXCS-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.82
Rot. Bonds3

About 3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol

3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol (PubChem CID 66345231) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol
PubChem CID66345231
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol
SMILESOC1CC(OCc2ccccc2F)C12CCCCCC2
InChIInChI=1S/C17H23FO2/c18-14-8-4-3-7-13(14)12-20-16-11-15(19)17(16)9-5-1-2-6-10-17/h3-4,7-8,15-16,19H,1-2,5-6,9-12H2
InChIKeyJXDOUBQIVICXCS-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-[(2-fluorophenyl)methoxy]spiro[3.6]decane
CID 66345184
3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol
CID 82826223
3-phenylmethoxyspiro[3.5]nonan-1-ol
CID 66366074
3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
CID 66353126
3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol
CID 66345232
2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol
CID 66344808
3-(2-fluorophenoxy)spiro[3.6]decan-1-ol
CID 66366664
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(2-fluorophenyl)propan-1-one
CID 72938779
(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
CID 95396494
1-[(2-ethoxycyclopentyl)oxymethyl]-2-fluorobenzene
CID 21162814
3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol
CID 107662269
3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol
CID 66368938

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol (CID 66345231) is 3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol is OC1CC(OCc2ccccc2F)C12CCCCCC2.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol?
The InChIKey is JXDOUBQIVICXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO2/c18-14-8-4-3-7-13(14)12-20-16-11-15(19)17(16)9-5-1-2-6-10-17/h3-4,7-8,15-16,19H,1-2,5-6,9-12H2.
What are the key properties of 3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol?
3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol has a molecular weight of 278.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol is sourced from PubChem (CID 66345231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).