3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one

C20H24O2 — CID 122456303

IUPAC3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one
SMILESCCCC1OC(=O)C1CCCCc1ccc2ccccc2c1
InChIInChI=1S/C20H24O2/c1-2-7-19-18(20(21)22-19)11-6-3-8-15-12-13-16-9-4-5-10-17(16)14-15/h4-5,9-10,12-14,18-19H,2-3,6-8,11H2,1H3
InChIKeyZOLASADGOOSOHW-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.89
Rot. Bonds7

About 3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one

3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one (PubChem CID 122456303) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one.

Molecular Properties

Compound Name3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one
PubChem CID122456303
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one
SMILESCCCC1OC(=O)C1CCCCc1ccc2ccccc2c1
InChIInChI=1S/C20H24O2/c1-2-7-19-18(20(21)22-19)11-6-3-8-15-12-13-16-9-4-5-10-17(16)14-15/h4-5,9-10,12-14,18-19H,2-3,6-8,11H2,1H3
InChIKeyZOLASADGOOSOHW-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one?
The IUPAC name of 3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one (CID 122456303) is 3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one.
What is the SMILES notation for 3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one?
The canonical SMILES for 3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one is CCCC1OC(=O)C1CCCCc1ccc2ccccc2c1.
What is the InChIKey of 3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one?
The InChIKey is ZOLASADGOOSOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-2-7-19-18(20(21)22-19)11-6-3-8-15-12-13-16-9-4-5-10-17(16)14-15/h4-5,9-10,12-14,18-19H,2-3,6-8,11H2,1H3.
What are the key properties of 3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one?
3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one has a molecular weight of 296.41 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-2-ylbutyl)-4-propyloxetan-2-one is sourced from PubChem (CID 122456303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).