1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone

C18H25FO2 — CID 114347385

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(F)cc2C)CCC(C)CC1
InChIInChI=1S/C18H25FO2/c1-4-21-18(9-7-13(2)8-10-18)17(20)12-15-5-6-16(19)11-14(15)3/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKeyXTBQZHDWMRALAM-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.23
Rot. Bonds5

About 1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone

1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 114347385) has the molecular formula C18H25FO2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone
PubChem CID114347385
Molecular FormulaC18H25FO2
Molecular Weight292.39 g/mol
Exact Mass292.18
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(F)cc2C)CCC(C)CC1
InChIInChI=1S/C18H25FO2/c1-4-21-18(9-7-13(2)8-10-18)17(20)12-15-5-6-16(19)11-14(15)3/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKeyXTBQZHDWMRALAM-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-4-phenylcyclohexan-1-one
CID 19030151
Ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate
CID 10684606
Ethyl 4-(4-fluorophenyl)-2-oxopentanoate
CID 135070440
methyl 2-[(1S,2R,6R)-2-(4-fluorophenyl)-4-methyl-6-phenylcyclohex-3-en-1-yl]-2-oxoacetate
CID 168329187
ethyl (3S,4S)-3-(4-fluorophenyl)-4-(p-tolyl)pentanoate
CID 172418798
ethyl (3R,4S)-3-(4-fluorophenyl)-4-(p-tolyl)pentanoate
CID 172418799
ethyl (S)-4-(2-fluorophenyl)-4-(p-tolyl)butanoate
CID 172418833
3-(4-Fluorophenyl)-6-methoxyhexan-2-one
CID 178185729
Ethyl 5-(4-fluorophenyl)-6-oxoheptanoate
CID 178185730
[4-(4-Fluorophenyl)cyclohexyl] 4-butylcyclohexane-1-carboxylate
CID 2840168
Methyl 3-methyl-3-(4'-fluoro-4-biphenylyl)-pyruvate
CID 12264293
Ethyl 4-(4-fluorophenyl)cyclohexane-1-carboxylate
CID 15131775

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone (CID 114347385) is 1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone is CCOC1(C(=O)Cc2ccc(F)cc2C)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is XTBQZHDWMRALAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO2/c1-4-21-18(9-7-13(2)8-10-18)17(20)12-15-5-6-16(19)11-14(15)3/h5-6,11,13H,4,7-10,12H2,1-3H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone?
1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 292.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 114347385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).