naphthalen-1-yl furan-2-carboxylate

C15H10O3 — CID 565213

IUPACnaphthalen-1-yl furan-2-carboxylate
SMILESO=C(Oc1cccc2ccccc12)c1ccco1
InChIInChI=1S/C15H10O3/c16-15(14-9-4-10-17-14)18-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H
InChIKeyLWYBXZAVXVKZKY-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.65
Rot. Bonds2

About naphthalen-1-yl furan-2-carboxylate

naphthalen-1-yl furan-2-carboxylate (PubChem CID 565213) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is naphthalen-1-yl furan-2-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-yl furan-2-carboxylate
PubChem CID565213
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Namenaphthalen-1-yl furan-2-carboxylate
SMILESO=C(Oc1cccc2ccccc12)c1ccco1
InChIInChI=1S/C15H10O3/c16-15(14-9-4-10-17-14)18-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H
InChIKeyLWYBXZAVXVKZKY-UHFFFAOYSA-N
XLogP3.65
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.65
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 furan-2-carboxylate?
The IUPAC name of naphthalen-1-yl furan-2-carboxylate (CID 565213) is naphthalen-1-yl furan-2-carboxylate.
What is the SMILES notation for naphthalen-1-yl furan-2-carboxylate?
The canonical SMILES for naphthalen-1-yl furan-2-carboxylate is O=C(Oc1cccc2ccccc12)c1ccco1.
What is the InChIKey of naphthalen-1-yl furan-2-carboxylate?
The InChIKey is LWYBXZAVXVKZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c16-15(14-9-4-10-17-14)18-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H.
What are the key properties of naphthalen-1-yl furan-2-carboxylate?
naphthalen-1-yl furan-2-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl furan-2-carboxylate is sourced from PubChem (CID 565213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).