2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane

C19H27FO2 — CID 70491539

IUPAC2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane
SMILESCCC1(C)CCC2(CCCCC2OCc2ccccc2F)O1
InChIInChI=1S/C19H27FO2/c1-3-18(2)12-13-19(22-18)11-7-6-10-17(19)21-14-15-8-4-5-9-16(15)20/h4-5,8-9,17H,3,6-7,10-14H2,1-2H3
InChIKeyXNLSATJUAATHRS-UHFFFAOYSA-N
MW306.42 g/mol
LogP5.00
Rot. Bonds4

About 2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane

2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane (PubChem CID 70491539) has the molecular formula C19H27FO2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane
PubChem CID70491539
Molecular FormulaC19H27FO2
Molecular Weight306.42 g/mol
Exact Mass306.20
IUPAC Name2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane
SMILESCCC1(C)CCC2(CCCCC2OCc2ccccc2F)O1
InChIInChI=1S/C19H27FO2/c1-3-18(2)12-13-19(22-18)11-7-6-10-17(19)21-14-15-8-4-5-9-16(15)20/h4-5,8-9,17H,3,6-7,10-14H2,1-2H3
InChIKeyXNLSATJUAATHRS-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane
CID 70490295
2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol
CID 66344808
3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
CID 66353126
1-[(2-ethoxycyclopentyl)oxymethyl]-2-fluorobenzene
CID 21162814
3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol
CID 66345232
3-bromo-1-[(2-fluorophenyl)methoxy]spiro[3.6]decane
CID 66345184
3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol
CID 66345231
(1S,2R,4R)-2-[(2-fluorophenyl)methoxy]-1-methyl-5-methylidene-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571332
(1S,2R,4R,5S)-5-(cyclopropylmethoxy)-2-[(2-fluorophenyl)methoxy]-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571456
(1S,2R,4R)-2-[(2-fluorophenyl)methoxy]-1-methyl-5-phenyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571614
(1R,2S,4S,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-1-propan-2-yl-2-propyl-7-oxabicyclo[2.2.1]heptan-2-ol
CID 172571355
(1S,2R,4R,5R)-2-[(2-fluorophenyl)methoxy]-1-methyl-5-phenylmethoxy-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571660

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane?
The IUPAC name of 2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane (CID 70491539) is 2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane?
The canonical SMILES for 2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane is CCC1(C)CCC2(CCCCC2OCc2ccccc2F)O1.
What is the InChIKey of 2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane?
The InChIKey is XNLSATJUAATHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FO2/c1-3-18(2)12-13-19(22-18)11-7-6-10-17(19)21-14-15-8-4-5-9-16(15)20/h4-5,8-9,17H,3,6-7,10-14H2,1-2H3.
What are the key properties of 2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane?
2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane has a molecular weight of 306.42 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-1-oxaspiro[4.5]decane is sourced from PubChem (CID 70491539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).