[3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone

C15H14O3 — CID 116922657

IUPAC[3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)C1(CO)COC1
InChIInChI=1S/C15H14O3/c16-8-15(9-18-10-15)14(17)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,16H,8-10H2
InChIKeyJGKZSFICJPISJS-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.03
Rot. Bonds3

About [3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone

[3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone (PubChem CID 116922657) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is [3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone
PubChem CID116922657
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name[3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)C1(CO)COC1
InChIInChI=1S/C15H14O3/c16-8-15(9-18-10-15)14(17)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,16H,8-10H2
InChIKeyJGKZSFICJPISJS-UHFFFAOYSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)oxetan-3-yl]-naphthalen-1-ylmethanone
CID 116922800
[3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone
CID 116922589
[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
CID 116600777
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
(2,4-diphenyl-1,3-dioxolan-4-yl)-naphthalen-1-ylmethanone
CID 70620742
[3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone
CID 116922663
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
naphthalene-1-carbonyl iodide
CID 87393513
bromo naphthalene-1-carboxylate
CID 68796403
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone (CID 116922657) is [3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)C1(CO)COC1.
What is the InChIKey of [3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is JGKZSFICJPISJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-8-15(9-18-10-15)14(17)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,16H,8-10H2.
What are the key properties of [3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone?
[3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 242.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)oxetan-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 116922657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).