2-(2-fluoro-5-methylphenyl)oxane

C12H15FO — CID 142365700

IUPAC2-(2-fluoro-5-methylphenyl)oxane
SMILESCc1ccc(F)c(C2CCCCO2)c1
InChIInChI=1S/C12H15FO/c1-9-5-6-11(13)10(8-9)12-4-2-3-7-14-12/h5-6,8,12H,2-4,7H2,1H3
InChIKeyVTYKABSQMHDISK-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.38
Rot. Bonds1

About 2-(2-fluoro-5-methylphenyl)oxane

2-(2-fluoro-5-methylphenyl)oxane (PubChem CID 142365700) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)oxane.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)oxane
PubChem CID142365700
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name2-(2-fluoro-5-methylphenyl)oxane
SMILESCc1ccc(F)c(C2CCCCO2)c1
InChIInChI=1S/C12H15FO/c1-9-5-6-11(13)10(8-9)12-4-2-3-7-14-12/h5-6,8,12H,2-4,7H2,1H3
InChIKeyVTYKABSQMHDISK-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane
CID 129147273
1-bromo-3-(2-fluoro-5-methylphenyl)cycloheptane
CID 64507624
[(2-fluoro-5-methylphenyl)-(oxan-2-yl)methyl]hydrazine
CID 105302766
(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride
CID 171197239
2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene
CID 62800460
2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene
CID 62801942
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525387
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
2-[(2R)-oxan-2-yl]phenol
CID 92978074
2-(4-prop-1-en-2-ylphenyl)oxane
CID 151047366
2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid
CID 146417244

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)oxane?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)oxane (CID 142365700) is 2-(2-fluoro-5-methylphenyl)oxane.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)oxane?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)oxane is Cc1ccc(F)c(C2CCCCO2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)oxane?
The InChIKey is VTYKABSQMHDISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-9-5-6-11(13)10(8-9)12-4-2-3-7-14-12/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 2-(2-fluoro-5-methylphenyl)oxane?
2-(2-fluoro-5-methylphenyl)oxane has a molecular weight of 194.25 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)oxane is sourced from PubChem (CID 142365700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).