ethenyl 2-naphthalen-1-ylbenzoate

C19H14O2 — CID 67204463

IUPACethenyl 2-naphthalen-1-ylbenzoate
SMILESC=COC(=O)c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C19H14O2/c1-2-21-19(20)18-12-6-5-11-17(18)16-13-7-9-14-8-3-4-10-15(14)16/h2-13H,1H2
InChIKeyQNHKQEBTGQENPM-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.81
Rot. Bonds3

About ethenyl 2-naphthalen-1-ylbenzoate

ethenyl 2-naphthalen-1-ylbenzoate (PubChem CID 67204463) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethenyl 2-naphthalen-1-ylbenzoate.

Molecular Properties

Compound Nameethenyl 2-naphthalen-1-ylbenzoate
PubChem CID67204463
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Nameethenyl 2-naphthalen-1-ylbenzoate
SMILESC=COC(=O)c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C19H14O2/c1-2-21-19(20)18-12-6-5-11-17(18)16-13-7-9-14-8-3-4-10-15(14)16/h2-13H,1H2
InChIKeyQNHKQEBTGQENPM-UHFFFAOYSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-naphthalen-1-ylbenzoate?
The IUPAC name of ethenyl 2-naphthalen-1-ylbenzoate (CID 67204463) is ethenyl 2-naphthalen-1-ylbenzoate.
What is the SMILES notation for ethenyl 2-naphthalen-1-ylbenzoate?
The canonical SMILES for ethenyl 2-naphthalen-1-ylbenzoate is C=COC(=O)c1ccccc1-c1cccc2ccccc12.
What is the InChIKey of ethenyl 2-naphthalen-1-ylbenzoate?
The InChIKey is QNHKQEBTGQENPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2/c1-2-21-19(20)18-12-6-5-11-17(18)16-13-7-9-14-8-3-4-10-15(14)16/h2-13H,1H2.
What are the key properties of ethenyl 2-naphthalen-1-ylbenzoate?
ethenyl 2-naphthalen-1-ylbenzoate has a molecular weight of 274.32 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-naphthalen-1-ylbenzoate is sourced from PubChem (CID 67204463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).