naphthalen-1-ylmethyl furan-2-carboxylate

C16H12O3 — CID 926070

IUPACnaphthalen-1-ylmethyl furan-2-carboxylate
SMILESO=C(OCc1cccc2ccccc12)c1ccco1
InChIInChI=1S/C16H12O3/c17-16(15-9-4-10-18-15)19-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2
InChIKeyUYSVAXOWHMTSMP-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.79
Rot. Bonds3

About naphthalen-1-ylmethyl furan-2-carboxylate

naphthalen-1-ylmethyl furan-2-carboxylate (PubChem CID 926070) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is naphthalen-1-ylmethyl furan-2-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl furan-2-carboxylate
PubChem CID926070
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Namenaphthalen-1-ylmethyl furan-2-carboxylate
SMILESO=C(OCc1cccc2ccccc12)c1ccco1
InChIInChI=1S/C16H12O3/c17-16(15-9-4-10-18-15)19-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2
InChIKeyUYSVAXOWHMTSMP-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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Related Compounds

N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 60675809
bromomethyl furan-2-carboxylate
CID 54363056
naphthalen-1-ylmethyl pyridazine-3-carboxylate
CID 154460652
[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate
CID 4534837
(3-chloro-1-benzothiophen-2-yl)methyl furan-2-carboxylate
CID 24557190
naphthalen-1-ylmethyl propanoate
CID 13262702
N-[3-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 42385642
naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
CID 141427624
naphthalen-1-ylmethyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 24564864
N-[3-methyl-1-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 17471674
3-(naphthalen-1-ylmethoxy)-3-oxopropanoic acid
CID 19783487
naphthalen-1-ylmethyl 2-(2-methylpropanoylamino)benzoate
CID 926085

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl furan-2-carboxylate?
The IUPAC name of naphthalen-1-ylmethyl furan-2-carboxylate (CID 926070) is naphthalen-1-ylmethyl furan-2-carboxylate.
What is the SMILES notation for naphthalen-1-ylmethyl furan-2-carboxylate?
The canonical SMILES for naphthalen-1-ylmethyl furan-2-carboxylate is O=C(OCc1cccc2ccccc12)c1ccco1.
What is the InChIKey of naphthalen-1-ylmethyl furan-2-carboxylate?
The InChIKey is UYSVAXOWHMTSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-16(15-9-4-10-18-15)19-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2.
What are the key properties of naphthalen-1-ylmethyl furan-2-carboxylate?
naphthalen-1-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-1-ylmethyl furan-2-carboxylate is sourced from PubChem (CID 926070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).