1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone

C18H25FO2 — CID 114347387

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(F)cc2C)CCCC(C)C1
InChIInChI=1S/C18H25FO2/c1-4-21-18(9-5-6-13(2)12-18)17(20)11-15-7-8-16(19)10-14(15)3/h7-8,10,13H,4-6,9,11-12H2,1-3H3
InChIKeyLUQODSLYHXGWLS-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.23
Rot. Bonds5

About 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone

1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 114347387) has the molecular formula C18H25FO2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone
PubChem CID114347387
Molecular FormulaC18H25FO2
Molecular Weight292.39 g/mol
Exact Mass292.18
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(F)cc2C)CCCC(C)C1
InChIInChI=1S/C18H25FO2/c1-4-21-18(9-5-6-13(2)12-18)17(20)11-15-7-8-16(19)10-14(15)3/h7-8,10,13H,4-6,9,11-12H2,1-3H3
InChIKeyLUQODSLYHXGWLS-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
3-(4-Fluorophenyl)-6-methoxyhexan-2-one
CID 178185729
Ethyl 5-(4-fluorophenyl)-6-oxoheptanoate
CID 178185730
Methyl 3-methyl-3-(4'-fluoro-4-biphenylyl)-pyruvate
CID 12264293
2-Oxo-3-(2-trifluoromethyl-phenyl)-propionic acid ethyl ester
CID 18370276
4-[(4-Fluorophenyl)methyl]-2,2-dimethyloxolan-3-one
CID 19375883
Methyl 3-methyl-3-(2-fluoro-4-biphenylyl)-pyruvate
CID 20323917
1-Cyclohexyl-4,4-diethoxy-2-(2-fluorophenyl)butan-1-one
CID 22037177
Ethyl 3-[2-(2-fluorophenyl)phenyl]propanoate
CID 22067883

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone (CID 114347387) is 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone is CCOC1(C(=O)Cc2ccc(F)cc2C)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is LUQODSLYHXGWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO2/c1-4-21-18(9-5-6-13(2)12-18)17(20)11-15-7-8-16(19)10-14(15)3/h7-8,10,13H,4-6,9,11-12H2,1-3H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone?
1-(1-ethoxy-3-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-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 114347387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).