naphthalen-1-yl dibenzofuran-1-carboxylate

C23H14O3 — CID 134956412

IUPACnaphthalen-1-yl dibenzofuran-1-carboxylate
SMILESO=C(Oc1cccc2ccccc12)c1cccc2oc3ccccc3c12
InChIInChI=1S/C23H14O3/c24-23(26-19-13-5-8-15-7-1-2-9-16(15)19)18-11-6-14-21-22(18)17-10-3-4-12-20(17)25-21/h1-14H
InChIKeyPLGFPCSZRCCFLI-UHFFFAOYSA-N
MW338.36 g/mol
LogP5.96
Rot. Bonds2

About naphthalen-1-yl dibenzofuran-1-carboxylate

naphthalen-1-yl dibenzofuran-1-carboxylate (PubChem CID 134956412) has the molecular formula C23H14O3 and a molecular weight of 338.36 g/mol. Its IUPAC name is naphthalen-1-yl dibenzofuran-1-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-yl dibenzofuran-1-carboxylate
PubChem CID134956412
Molecular FormulaC23H14O3
Molecular Weight338.36 g/mol
Exact Mass338.09
IUPAC Namenaphthalen-1-yl dibenzofuran-1-carboxylate
SMILESO=C(Oc1cccc2ccccc12)c1cccc2oc3ccccc3c12
InChIInChI=1S/C23H14O3/c24-23(26-19-13-5-8-15-7-1-2-9-16(15)19)18-11-6-14-21-22(18)17-10-3-4-12-20(17)25-21/h1-14H
InChIKeyPLGFPCSZRCCFLI-UHFFFAOYSA-N
XLogP5.96
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.36
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl dibenzofuran-1-carboxylate?
The IUPAC name of naphthalen-1-yl dibenzofuran-1-carboxylate (CID 134956412) is naphthalen-1-yl dibenzofuran-1-carboxylate.
What is the SMILES notation for naphthalen-1-yl dibenzofuran-1-carboxylate?
The canonical SMILES for naphthalen-1-yl dibenzofuran-1-carboxylate is O=C(Oc1cccc2ccccc12)c1cccc2oc3ccccc3c12.
What is the InChIKey of naphthalen-1-yl dibenzofuran-1-carboxylate?
The InChIKey is PLGFPCSZRCCFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O3/c24-23(26-19-13-5-8-15-7-1-2-9-16(15)19)18-11-6-14-21-22(18)17-10-3-4-12-20(17)25-21/h1-14H.
What are the key properties of naphthalen-1-yl dibenzofuran-1-carboxylate?
naphthalen-1-yl dibenzofuran-1-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl dibenzofuran-1-carboxylate is sourced from PubChem (CID 134956412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).