ethyl 3-naphthalen-1-yl-3-oxopropanoate

C15H14O3 — CID 2760157

IUPACethyl 3-naphthalen-1-yl-3-oxopropanoate
SMILESCCOC(=O)CC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H14O3/c1-2-18-15(17)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3
InChIKeyJFWSFANXHXCJOY-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.98
Rot. Bonds4

About ethyl 3-naphthalen-1-yl-3-oxopropanoate

ethyl 3-naphthalen-1-yl-3-oxopropanoate (PubChem CID 2760157) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl 3-naphthalen-1-yl-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-naphthalen-1-yl-3-oxopropanoate
PubChem CID2760157
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Nameethyl 3-naphthalen-1-yl-3-oxopropanoate
SMILESCCOC(=O)CC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H14O3/c1-2-18-15(17)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3
InChIKeyJFWSFANXHXCJOY-UHFFFAOYSA-N
XLogP2.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-naphthalen-1-yl-3-oxopropanoate?
The IUPAC name of ethyl 3-naphthalen-1-yl-3-oxopropanoate (CID 2760157) is ethyl 3-naphthalen-1-yl-3-oxopropanoate.
What is the SMILES notation for ethyl 3-naphthalen-1-yl-3-oxopropanoate?
The canonical SMILES for ethyl 3-naphthalen-1-yl-3-oxopropanoate is CCOC(=O)CC(=O)c1cccc2ccccc12.
What is the InChIKey of ethyl 3-naphthalen-1-yl-3-oxopropanoate?
The InChIKey is JFWSFANXHXCJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-2-18-15(17)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 3-naphthalen-1-yl-3-oxopropanoate?
ethyl 3-naphthalen-1-yl-3-oxopropanoate has a molecular weight of 242.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-naphthalen-1-yl-3-oxopropanoate is sourced from PubChem (CID 2760157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).