3-naphthalen-1-ylpropyl acetate

C15H16O2 — CID 132515297

IUPAC3-naphthalen-1-ylpropyl acetate
SMILESCC(=O)OCCCc1cccc2ccccc12
InChIInChI=1S/C15H16O2/c1-12(16)17-11-5-9-14-8-4-7-13-6-2-3-10-15(13)14/h2-4,6-8,10H,5,9,11H2,1H3
InChIKeyLSGNLCHTXFLGLD-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.34
Rot. Bonds4

About 3-naphthalen-1-ylpropyl acetate

3-naphthalen-1-ylpropyl acetate (PubChem CID 132515297) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-naphthalen-1-ylpropyl acetate.

Molecular Properties

Compound Name3-naphthalen-1-ylpropyl acetate
PubChem CID132515297
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name3-naphthalen-1-ylpropyl acetate
SMILESCC(=O)OCCCc1cccc2ccccc12
InChIInChI=1S/C15H16O2/c1-12(16)17-11-5-9-14-8-4-7-13-6-2-3-10-15(13)14/h2-4,6-8,10H,5,9,11H2,1H3
InChIKeyLSGNLCHTXFLGLD-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylpropyl acetate?
The IUPAC name of 3-naphthalen-1-ylpropyl acetate (CID 132515297) is 3-naphthalen-1-ylpropyl acetate.
What is the SMILES notation for 3-naphthalen-1-ylpropyl acetate?
The canonical SMILES for 3-naphthalen-1-ylpropyl acetate is CC(=O)OCCCc1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-ylpropyl acetate?
The InChIKey is LSGNLCHTXFLGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-12(16)17-11-5-9-14-8-4-7-13-6-2-3-10-15(13)14/h2-4,6-8,10H,5,9,11H2,1H3.
What are the key properties of 3-naphthalen-1-ylpropyl acetate?
3-naphthalen-1-ylpropyl acetate has a molecular weight of 228.29 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylpropyl acetate is sourced from PubChem (CID 132515297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).