1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone

C15H19FO2 — CID 43800886

IUPAC1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone
SMILESCC1CCCC(OCC(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H19FO2/c1-11-4-2-7-14(8-11)18-10-15(17)12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,2,4,7-8,10H2,1H3
InChIKeyVEUZWLUBSSQZCS-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.60
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone

1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone (PubChem CID 43800886) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone
PubChem CID43800886
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone
SMILESCC1CCCC(OCC(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H19FO2/c1-11-4-2-7-14(8-11)18-10-15(17)12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,2,4,7-8,10H2,1H3
InChIKeyVEUZWLUBSSQZCS-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800872
2-(3-methylcyclohexyl)oxy-1-(4-methylsulfanylphenyl)ethanone
CID 43800934
1-(1,3-benzodioxol-5-yl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800920
1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone
CID 63559072
1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one
CID 62618349
1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800878
2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone
CID 43800873
1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one
CID 43800867
2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone
CID 64728813
1-(4-fluorophenyl)-4-(3-methylcyclohexyl)oxybutan-1-one
CID 43793788
1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone
CID 43798677
N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97249076

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone (CID 43800886) is 1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone is CC1CCCC(OCC(=O)c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone?
The InChIKey is VEUZWLUBSSQZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-11-4-2-7-14(8-11)18-10-15(17)12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,2,4,7-8,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone?
1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone has a molecular weight of 250.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone is sourced from PubChem (CID 43800886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).