2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one

C14H16O4 — CID 79565192

IUPAC2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCOc1ccc2c(c1)OCO2
InChIInChI=1S/C14H16O4/c15-12-3-1-2-10(12)6-7-16-11-4-5-13-14(8-11)18-9-17-13/h4-5,8,10H,1-3,6-7,9H2
InChIKeyIEMMPOXRVXDFGK-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.55
Rot. Bonds4

About 2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one

2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one (PubChem CID 79565192) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one
PubChem CID79565192
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCOc1ccc2c(c1)OCO2
InChIInChI=1S/C14H16O4/c15-12-3-1-2-10(12)6-7-16-11-4-5-13-14(8-11)18-9-17-13/h4-5,8,10H,1-3,6-7,9H2
InChIKeyIEMMPOXRVXDFGK-UHFFFAOYSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 79566144
2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one
CID 107709266
2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one
CID 79577646
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]azetidine
CID 107391556
2-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-one
CID 79564898
4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine
CID 70056385
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethyl]cyclopentan-1-one
CID 79604532
5-but-3-enoxy-1,3-benzodioxole
CID 10511936
3-(1,3-benzodioxol-5-yloxy)propane-1-sulfonate
CID 20593635
1,3-benzodioxol-5-yl 3-(1,3-benzodioxol-5-yloxy)propanoate
CID 155681715
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]propan-2-amine
CID 14809521
3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide
CID 16884275

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one (CID 79565192) is 2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one is O=C1CCCC1CCOc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one?
The InChIKey is IEMMPOXRVXDFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c15-12-3-1-2-10(12)6-7-16-11-4-5-13-14(8-11)18-9-17-13/h4-5,8,10H,1-3,6-7,9H2.
What are the key properties of 2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one?
2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one has a molecular weight of 248.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one is sourced from PubChem (CID 79565192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).