1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone

C15H19FO2 — CID 103988434

IUPAC1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)C2CCCCC2)c1F
InChIInChI=1S/C15H19FO2/c1-11-6-5-9-14(15(11)16)18-10-13(17)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyZPOLOYZNEIEQPU-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.66
Rot. Bonds4

About 1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone

1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone (PubChem CID 103988434) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
PubChem CID103988434
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)C2CCCCC2)c1F
InChIInChI=1S/C15H19FO2/c1-11-6-5-9-14(15(11)16)18-10-13(17)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3
InChIKeyZPOLOYZNEIEQPU-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone
CID 107659488
1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
CID 104752083
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561
1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone
CID 115733445
2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone
CID 113267861
2-(2-chloro-4-fluorophenoxy)-1-cyclohexylethanone
CID 115578096
1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
CID 104751801
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
1-cyclohexyloxy-2-fluoro-3-methylbenzene
CID 70930096
2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 113223270
1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 113449018

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone?
The IUPAC name of 1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone (CID 103988434) is 1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone is Cc1cccc(OCC(=O)C2CCCCC2)c1F.
What is the InChIKey of 1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone?
The InChIKey is ZPOLOYZNEIEQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-11-6-5-9-14(15(11)16)18-10-13(17)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3.
What are the key properties of 1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone?
1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone has a molecular weight of 250.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone is sourced from PubChem (CID 103988434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).