1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone

C16H22O3 — CID 104751852

IUPAC1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone
SMILESCOCCc1ccc(OCC(=O)C2CCCC2)cc1
InChIInChI=1S/C16H22O3/c1-18-11-10-13-6-8-15(9-7-13)19-12-16(17)14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3
InChIKeyFXBUSAYABWZMIB-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.01
Rot. Bonds7

About 1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone

1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone (PubChem CID 104751852) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone
PubChem CID104751852
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone
SMILESCOCCc1ccc(OCC(=O)C2CCCC2)cc1
InChIInChI=1S/C16H22O3/c1-18-11-10-13-6-8-15(9-7-13)19-12-16(17)14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3
InChIKeyFXBUSAYABWZMIB-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butylphenoxy)-1-cyclopentylethanone
CID 104752178
1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 104751881
2-(4-butylphenoxy)-1-cyclopropylethanone
CID 115492850
2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
2-[4-(2-methoxyethyl)phenoxy]ethanethioamide
CID 43352082
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
4-[4-(2-methoxyethyl)phenoxy]butanoic acid
CID 43169586
1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
CID 115582250
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085
2-(4-butoxyphenyl)-1-cyclohexylethanone
CID 71053379
propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate
CID 55664981
4-[4-(2-methoxyethyl)phenoxy]carbonylcyclohexane-1-carboxylic acid
CID 155329104

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone?
The IUPAC name of 1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone (CID 104751852) is 1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone is COCCc1ccc(OCC(=O)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone?
The InChIKey is FXBUSAYABWZMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-18-11-10-13-6-8-15(9-7-13)19-12-16(17)14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3.
What are the key properties of 1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone?
1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone has a molecular weight of 262.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone is sourced from PubChem (CID 104751852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).