3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one

C16H21FO — CID 114970802

IUPAC3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one
SMILESCc1ccc(F)c(C(=O)CCC2CCCCC2)c1
InChIInChI=1S/C16H21FO/c1-12-7-9-15(17)14(11-12)16(18)10-8-13-5-3-2-4-6-13/h7,9,11,13H,2-6,8,10H2,1H3
InChIKeyMSOIQMLIGVDVLU-UHFFFAOYSA-N
MW248.34 g/mol
LogP4.68
Rot. Bonds4

About 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one

3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one (PubChem CID 114970802) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one
PubChem CID114970802
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one
SMILESCc1ccc(F)c(C(=O)CCC2CCCCC2)c1
InChIInChI=1S/C16H21FO/c1-12-7-9-15(17)14(11-12)16(18)10-8-13-5-3-2-4-6-13/h7,9,11,13H,2-6,8,10H2,1H3
InChIKeyMSOIQMLIGVDVLU-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 114978262
1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one
CID 115784576
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one
CID 116547086
cyclopentylmethyl 2-fluoro-5-methylbenzoate
CID 62958889
1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one
CID 106865007
cyclohexyl 2-fluoro-5-methylbenzoate
CID 62947219
1-(2-fluoro-5-methylphenyl)decan-1-one
CID 114966456
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 115794441
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone
CID 110366873
3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one
CID 114970182

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one (CID 114970802) is 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one is Cc1ccc(F)c(C(=O)CCC2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one?
The InChIKey is MSOIQMLIGVDVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO/c1-12-7-9-15(17)14(11-12)16(18)10-8-13-5-3-2-4-6-13/h7,9,11,13H,2-6,8,10H2,1H3.
What are the key properties of 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one?
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one has a molecular weight of 248.34 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one is sourced from PubChem (CID 114970802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).