6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one

C17H20O3 — CID 79566144

IUPAC6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCCC3CCCC3=O)ccc21
InChIInChI=1S/C17H20O3/c18-16-5-1-3-12(16)9-10-20-14-7-8-15-13(11-14)4-2-6-17(15)19/h7-8,11-12H,1-6,9-10H2
InChIKeyJOZVNCBXDNTWTP-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.34
Rot. Bonds4

About 6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one

6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 79566144) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID79566144
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCCC3CCCC3=O)ccc21
InChIInChI=1S/C17H20O3/c18-16-5-1-3-12(16)9-10-20-14-7-8-15-13(11-14)4-2-6-17(15)19/h7-8,11-12H,1-6,9-10H2
InChIKeyJOZVNCBXDNTWTP-UHFFFAOYSA-N
XLogP3.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 21287501
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
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
6-(4,4,4-trifluorobutoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 113326422
2-[2-[4-(2-hydroxyethyl)phenoxy]ethyl]cyclopentan-1-one
CID 107709266
6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one
CID 107007273
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
2-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-one
CID 79564898
6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one
CID 21444523
6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 54129748

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 79566144) is 6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(OCCC3CCCC3=O)ccc21.
What is the InChIKey of 6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JOZVNCBXDNTWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c18-16-5-1-3-12(16)9-10-20-14-7-8-15-13(11-14)4-2-6-17(15)19/h7-8,11-12H,1-6,9-10H2.
What are the key properties of 6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one?
6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 272.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 79566144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).