4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one

C17H18O2 — CID 122456306

IUPAC4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one
SMILESCC1OC(=O)C1CCCc1ccc2ccccc2c1
InChIInChI=1S/C17H18O2/c1-12-16(17(18)19-12)8-4-5-13-9-10-14-6-2-3-7-15(14)11-13/h2-3,6-7,9-12,16H,4-5,8H2,1H3
InChIKeyRZOPLCDSKPSVOX-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.72
Rot. Bonds4

About 4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one

4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one (PubChem CID 122456306) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one.

Molecular Properties

Compound Name4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one
PubChem CID122456306
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one
SMILESCC1OC(=O)C1CCCc1ccc2ccccc2c1
InChIInChI=1S/C17H18O2/c1-12-16(17(18)19-12)8-4-5-13-9-10-14-6-2-3-7-15(14)11-13/h2-3,6-7,9-12,16H,4-5,8H2,1H3
InChIKeyRZOPLCDSKPSVOX-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one?
The IUPAC name of 4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one (CID 122456306) is 4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one.
What is the SMILES notation for 4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one?
The canonical SMILES for 4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one is CC1OC(=O)C1CCCc1ccc2ccccc2c1.
What is the InChIKey of 4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one?
The InChIKey is RZOPLCDSKPSVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-16(17(18)19-12)8-4-5-13-9-10-14-6-2-3-7-15(14)11-13/h2-3,6-7,9-12,16H,4-5,8H2,1H3.
What are the key properties of 4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one?
4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one has a molecular weight of 254.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-naphthalen-2-ylpropyl)oxetan-2-one is sourced from PubChem (CID 122456306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).