2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone

C13H15FO3 — CID 107659488

IUPAC2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone
SMILESCc1cccc(OCC(=O)C2CCOC2)c1F
InChIInChI=1S/C13H15FO3/c1-9-3-2-4-12(13(9)14)17-8-11(15)10-5-6-16-7-10/h2-4,10H,5-8H2,1H3
InChIKeyXELTXTDWSDKTEK-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone

2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone (PubChem CID 107659488) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone
PubChem CID107659488
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone
SMILESCc1cccc(OCC(=O)C2CCOC2)c1F
InChIInChI=1S/C13H15FO3/c1-9-3-2-4-12(13(9)14)17-8-11(15)10-5-6-16-7-10/h2-4,10H,5-8H2,1H3
InChIKeyXELTXTDWSDKTEK-UHFFFAOYSA-N
XLogP2.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
CID 103988434
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 104693489
2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
CID 104752130
2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
CID 104751850
1-(oxolan-3-yl)-2-quinolin-5-yloxyethanone
CID 103045216
1-(oxolan-3-yl)-2-(2,4,5-trichlorophenoxy)ethanone
CID 104693441
2-(3-iodophenoxy)-1-(oxolan-3-yl)ethanone
CID 104693460
2-(3-methyl-4-nitrophenoxy)-1-(oxolan-3-yl)ethanone
CID 113442118
2-(2-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanone
CID 104756299
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
2-(2-chloro-4-nitrophenoxy)-1-(oxolan-3-yl)ethanone
CID 104693422

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone (CID 107659488) is 2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone is Cc1cccc(OCC(=O)C2CCOC2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone?
The InChIKey is XELTXTDWSDKTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-9-3-2-4-12(13(9)14)17-8-11(15)10-5-6-16-7-10/h2-4,10H,5-8H2,1H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone?
2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone has a molecular weight of 238.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 107659488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).