naphthalen-2-ylmethyl furan-2-carboxylate

C16H12O3 — CID 976219

IUPACnaphthalen-2-ylmethyl furan-2-carboxylate
SMILESO=C(OCc1ccc2ccccc2c1)c1ccco1
InChIInChI=1S/C16H12O3/c17-16(15-6-3-9-18-15)19-11-12-7-8-13-4-1-2-5-14(13)10-12/h1-10H,11H2
InChIKeyQGZYHNIXKVYLOJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.79
Rot. Bonds3

About naphthalen-2-ylmethyl furan-2-carboxylate

naphthalen-2-ylmethyl furan-2-carboxylate (PubChem CID 976219) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is naphthalen-2-ylmethyl furan-2-carboxylate.

Molecular Properties

Compound Namenaphthalen-2-ylmethyl furan-2-carboxylate
PubChem CID976219
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Namenaphthalen-2-ylmethyl furan-2-carboxylate
SMILESO=C(OCc1ccc2ccccc2c1)c1ccco1
InChIInChI=1S/C16H12O3/c17-16(15-6-3-9-18-15)19-11-12-7-8-13-4-1-2-5-14(13)10-12/h1-10H,11H2
InChIKeyQGZYHNIXKVYLOJ-UHFFFAOYSA-N
XLogP3.79
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethyl furan-2-carboxylate?
The IUPAC name of naphthalen-2-ylmethyl furan-2-carboxylate (CID 976219) is naphthalen-2-ylmethyl furan-2-carboxylate.
What is the SMILES notation for naphthalen-2-ylmethyl furan-2-carboxylate?
The canonical SMILES for naphthalen-2-ylmethyl furan-2-carboxylate is O=C(OCc1ccc2ccccc2c1)c1ccco1.
What is the InChIKey of naphthalen-2-ylmethyl furan-2-carboxylate?
The InChIKey is QGZYHNIXKVYLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-16(15-6-3-9-18-15)19-11-12-7-8-13-4-1-2-5-14(13)10-12/h1-10H,11H2.
What are the key properties of naphthalen-2-ylmethyl furan-2-carboxylate?
naphthalen-2-ylmethyl furan-2-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethyl furan-2-carboxylate is sourced from PubChem (CID 976219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).