2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one

C16H20O3 — CID 79566016

IUPAC2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one
SMILESCCC(=O)c1ccc(OCCC2CCCC2=O)cc1
InChIInChI=1S/C16H20O3/c1-2-15(17)13-6-8-14(9-7-13)19-11-10-12-4-3-5-16(12)18/h6-9,12H,2-5,10-11H2,1H3
InChIKeyXKJWWDGBXXWWHG-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.42
Rot. Bonds6

About 2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one

2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one (PubChem CID 79566016) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one
PubChem CID79566016
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one
SMILESCCC(=O)c1ccc(OCCC2CCCC2=O)cc1
InChIInChI=1S/C16H20O3/c1-2-15(17)13-6-8-14(9-7-13)19-11-10-12-4-3-5-16(12)18/h6-9,12H,2-5,10-11H2,1H3
InChIKeyXKJWWDGBXXWWHG-UHFFFAOYSA-N
XLogP3.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one
CID 107709266
2-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-one
CID 79564898
2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one
CID 14381769
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one
CID 79565192
2-[2-(4-chloro-3-fluorophenoxy)ethyl]cyclopentan-1-one
CID 82707034
2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentan-1-one
CID 79577643
3-(4-propanoylphenoxy)propanoic acid
CID 3050237
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one
CID 79577646
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide
CID 58413561

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one (CID 79566016) is 2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one is CCC(=O)c1ccc(OCCC2CCCC2=O)cc1.
What is the InChIKey of 2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one?
The InChIKey is XKJWWDGBXXWWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-2-15(17)13-6-8-14(9-7-13)19-11-10-12-4-3-5-16(12)18/h6-9,12H,2-5,10-11H2,1H3.
What are the key properties of 2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one?
2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one has a molecular weight of 260.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propanoylphenoxy)ethyl]cyclopentan-1-one is sourced from PubChem (CID 79566016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).