2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone

C17H23FO3 — CID 43798165

IUPAC2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCCC1CCCCC1OCC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C17H23FO3/c1-3-12-6-4-5-7-16(12)21-11-15(19)14-10-13(18)8-9-17(14)20-2/h8-10,12,16H,3-7,11H2,1-2H3
InChIKeyCCVNVQXNFZUYJP-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.00
Rot. Bonds6

About 2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone

2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 43798165) has the molecular formula C17H23FO3 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID43798165
Molecular FormulaC17H23FO3
Molecular Weight294.37 g/mol
Exact Mass294.16
IUPAC Name2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCCC1CCCCC1OCC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C17H23FO3/c1-3-12-6-4-5-7-16(12)21-11-15(19)14-10-13(18)8-9-17(14)20-2/h8-10,12,16H,3-7,11H2,1-2H3
InChIKeyCCVNVQXNFZUYJP-UHFFFAOYSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(2-ethylcyclohexyl)oxyethanone
CID 43798188
2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 66323732
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 103162387
2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid
CID 107014244
2-(2-ethylpiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227563
[2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 116584688
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228410
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one
CID 43793307
2-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 61216852

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 43798165) is 2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone is CCC1CCCCC1OCC(=O)c1cc(F)ccc1OC.
What is the InChIKey of 2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is CCVNVQXNFZUYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO3/c1-3-12-6-4-5-7-16(12)21-11-15(19)14-10-13(18)8-9-17(14)20-2/h8-10,12,16H,3-7,11H2,1-2H3.
What are the key properties of 2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 294.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 43798165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).