1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone

C17H23FO2 — CID 105373386

IUPAC1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2cc(F)ccc2C)CCCCC1
InChIInChI=1S/C17H23FO2/c1-3-20-17(9-5-4-6-10-17)16(19)12-14-11-15(18)8-7-13(14)2/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyOKFNAXQLVHYISG-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.99
Rot. Bonds5

About 1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone

1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 105373386) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
PubChem CID105373386
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2cc(F)ccc2C)CCCCC1
InChIInChI=1S/C17H23FO2/c1-3-20-17(9-5-4-6-10-17)16(19)12-14-11-15(18)8-7-13(14)2/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyOKFNAXQLVHYISG-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone (CID 105373386) is 1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone is CCOC1(C(=O)Cc2cc(F)ccc2C)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is OKFNAXQLVHYISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO2/c1-3-20-17(9-5-4-6-10-17)16(19)12-14-11-15(18)8-7-13(14)2/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone?
1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 278.37 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 105373386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).