1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone

C17H23FO2 — CID 116749463

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone
SMILESCCOC1(C(=O)Cc2cccc(F)c2)CCC(C)CC1
InChIInChI=1S/C17H23FO2/c1-3-20-17(9-7-13(2)8-10-17)16(19)12-14-5-4-6-15(18)11-14/h4-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyNRZPVDQEUDOARD-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.92
Rot. Bonds5

About 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone

1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone (PubChem CID 116749463) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone
PubChem CID116749463
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone
SMILESCCOC1(C(=O)Cc2cccc(F)c2)CCC(C)CC1
InChIInChI=1S/C17H23FO2/c1-3-20-17(9-7-13(2)8-10-17)16(19)12-14-5-4-6-15(18)11-14/h4-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyNRZPVDQEUDOARD-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889
2-(3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749228
2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450824
2-(3-chloro-2-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 102857332
2-(3-bromophenyl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750033
2-(3,5-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 105405541
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 116754724
1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116749303
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone
CID 116749465
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747912
1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116607121

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone (CID 116749463) is 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone is CCOC1(C(=O)Cc2cccc(F)c2)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone?
The InChIKey is NRZPVDQEUDOARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO2/c1-3-20-17(9-7-13(2)8-10-17)16(19)12-14-5-4-6-15(18)11-14/h4-6,11,13H,3,7-10,12H2,1-2H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone?
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone has a molecular weight of 278.37 g/mol, XLogP of 3.92, 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-(3-fluorophenyl)ethanone is sourced from PubChem (CID 116749463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).