1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one

C17H24O3 — CID 39375404

IUPAC1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one
SMILESCCOc1ccccc1OCCC(=O)C1CCCCC1
InChIInChI=1S/C17H24O3/c1-2-19-16-10-6-7-11-17(16)20-13-12-15(18)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3
InChIKeyJYMZAEOVEKEBFG-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.00
Rot. Bonds7

About 1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one

1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one (PubChem CID 39375404) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one
PubChem CID39375404
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one
SMILESCCOc1ccccc1OCCC(=O)C1CCCCC1
InChIInChI=1S/C17H24O3/c1-2-19-16-10-6-7-11-17(16)20-13-12-15(18)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3
InChIKeyJYMZAEOVEKEBFG-UHFFFAOYSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-3-phenoxypropan-1-one
CID 82932359
N'-[4-(2-ethoxyphenoxy)butanoyl]cyclohexanecarbohydrazide
CID 9327136
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one
CID 39387933
3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one
CID 39390816
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108534050
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108544654
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119437566
1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one
CID 39349318
1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660
1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
CID 104751801

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one?
The IUPAC name of 1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one (CID 39375404) is 1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one?
The canonical SMILES for 1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one is CCOc1ccccc1OCCC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one?
The InChIKey is JYMZAEOVEKEBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-2-19-16-10-6-7-11-17(16)20-13-12-15(18)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3.
What are the key properties of 1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one?
1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-ethoxyphenoxy)propan-1-one is sourced from PubChem (CID 39375404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).