ethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate

C15H14O5 — CID 144801555

IUPACethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate
SMILESC=COC(=O)Oc1ccc2cc(OCCO)ccc2c1
InChIInChI=1S/C15H14O5/c1-2-18-15(17)20-14-6-4-11-9-13(19-8-7-16)5-3-12(11)10-14/h2-6,9-10,16H,1,7-8H2
InChIKeyDAVWKRRNCATIMM-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.87
Rot. Bonds5

About ethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate

ethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate (PubChem CID 144801555) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is ethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate.

Molecular Properties

Compound Nameethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate
PubChem CID144801555
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Nameethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate
SMILESC=COC(=O)Oc1ccc2cc(OCCO)ccc2c1
InChIInChI=1S/C15H14O5/c1-2-18-15(17)20-14-6-4-11-9-13(19-8-7-16)5-3-12(11)10-14/h2-6,9-10,16H,1,7-8H2
InChIKeyDAVWKRRNCATIMM-UHFFFAOYSA-N
XLogP2.87
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate?
The IUPAC name of ethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate (CID 144801555) is ethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate.
What is the SMILES notation for ethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate?
The canonical SMILES for ethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate is C=COC(=O)Oc1ccc2cc(OCCO)ccc2c1.
What is the InChIKey of ethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate?
The InChIKey is DAVWKRRNCATIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-2-18-15(17)20-14-6-4-11-9-13(19-8-7-16)5-3-12(11)10-14/h2-6,9-10,16H,1,7-8H2.
What are the key properties of ethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate?
ethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate has a molecular weight of 274.27 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl [6-(2-hydroxyethoxy)naphthalen-2-yl] carbonate is sourced from PubChem (CID 144801555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).