3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione

C17H18O3 — CID 10707168

IUPAC3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
SMILESCC(=O)C(CCOc1ccc2ccccc2c1)C(C)=O
InChIInChI=1S/C17H18O3/c1-12(18)17(13(2)19)9-10-20-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,17H,9-10H2,1-2H3
InChIKeyJRCCEGUHJJMKJW-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.40
Rot. Bonds6

About 3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione

3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione (PubChem CID 10707168) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione.

Molecular Properties

Compound Name3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
PubChem CID10707168
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
SMILESCC(=O)C(CCOc1ccc2ccccc2c1)C(C)=O
InChIInChI=1S/C17H18O3/c1-12(18)17(13(2)19)9-10-20-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,17H,9-10H2,1-2H3
InChIKeyJRCCEGUHJJMKJW-UHFFFAOYSA-N
XLogP3.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-4-naphthalen-2-yloxybutanoate
CID 63041604
methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate
CID 63041601
2-methyl-5-naphthalen-2-yloxypentanamide
CID 142457986
3-(3-phenoxypropyl)pentane-2,4-dione
CID 30842809
CID 58761521
CID 58761521
N-(5-naphthalen-2-yloxypentyl)acetamide
CID 175828319
2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
CID 65248421
2-amino-4-(2-naphthalen-2-yloxyethylsulfanyl)butanoic acid
CID 60929137
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid
CID 43427140
1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone
CID 19004540

Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione?
The IUPAC name of 3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione (CID 10707168) is 3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione.
What is the SMILES notation for 3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione?
The canonical SMILES for 3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione is CC(=O)C(CCOc1ccc2ccccc2c1)C(C)=O.
What is the InChIKey of 3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione?
The InChIKey is JRCCEGUHJJMKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(18)17(13(2)19)9-10-20-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione?
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione is sourced from PubChem (CID 10707168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).