methyl 2-acenaphthylen-4-ylacetate

C15H12O2 — CID 166829520

IUPACmethyl 2-acenaphthylen-4-ylacetate
SMILESCOC(=O)Cc1cc2c3c(cccc3c1)C=C2
InChIInChI=1S/C15H12O2/c1-17-14(16)9-10-7-12-4-2-3-11-5-6-13(8-10)15(11)12/h2-8H,9H2,1H3
InChIKeyGDLPNJFAIXZOEM-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.04
Rot. Bonds2

About methyl 2-acenaphthylen-4-ylacetate

methyl 2-acenaphthylen-4-ylacetate (PubChem CID 166829520) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-acenaphthylen-4-ylacetate.

Molecular Properties

Compound Namemethyl 2-acenaphthylen-4-ylacetate
PubChem CID166829520
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Namemethyl 2-acenaphthylen-4-ylacetate
SMILESCOC(=O)Cc1cc2c3c(cccc3c1)C=C2
InChIInChI=1S/C15H12O2/c1-17-14(16)9-10-7-12-4-2-3-11-5-6-13(8-10)15(11)12/h2-8H,9H2,1H3
InChIKeyGDLPNJFAIXZOEM-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acenaphthylen-4-ylacetate?
The IUPAC name of methyl 2-acenaphthylen-4-ylacetate (CID 166829520) is methyl 2-acenaphthylen-4-ylacetate.
What is the SMILES notation for methyl 2-acenaphthylen-4-ylacetate?
The canonical SMILES for methyl 2-acenaphthylen-4-ylacetate is COC(=O)Cc1cc2c3c(cccc3c1)C=C2.
What is the InChIKey of methyl 2-acenaphthylen-4-ylacetate?
The InChIKey is GDLPNJFAIXZOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-17-14(16)9-10-7-12-4-2-3-11-5-6-13(8-10)15(11)12/h2-8H,9H2,1H3.
What are the key properties of methyl 2-acenaphthylen-4-ylacetate?
methyl 2-acenaphthylen-4-ylacetate has a molecular weight of 224.26 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acenaphthylen-4-ylacetate is sourced from PubChem (CID 166829520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).