3-ethyl-3-(3-phenylpropyl)oxetan-2-one

C14H18O2 — CID 155351217

IUPAC3-ethyl-3-(3-phenylpropyl)oxetan-2-one
SMILESCCC1(CCCc2ccccc2)COC1=O
InChIInChI=1S/C14H18O2/c1-2-14(11-16-13(14)15)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKeyHSGUAWFPDAFNME-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.96
Rot. Bonds5

About 3-ethyl-3-(3-phenylpropyl)oxetan-2-one

3-ethyl-3-(3-phenylpropyl)oxetan-2-one (PubChem CID 155351217) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-ethyl-3-(3-phenylpropyl)oxetan-2-one.

Molecular Properties

Compound Name3-ethyl-3-(3-phenylpropyl)oxetan-2-one
PubChem CID155351217
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-ethyl-3-(3-phenylpropyl)oxetan-2-one
SMILESCCC1(CCCc2ccccc2)COC1=O
InChIInChI=1S/C14H18O2/c1-2-14(11-16-13(14)15)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKeyHSGUAWFPDAFNME-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.96
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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Related Compounds

3-ethyl-3-(4-fluorobutyl)oxetan-2-one
CID 154715931
5-methyl-5-(3-phenylpropyl)-1,3-dioxane-4,6-dione
CID 118947181
(4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one
CID 131860744
2-[2-oxo-3-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid
CID 54259067
4-phenylbutylbenzene
CID 141301927
4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
CID 10727505
sodium 5-ethyl-4,6-dioxo-5-(6-phenylhexyl)-1H-pyrimidin-2-olate
CID 23703944
3-(3-phenylpropyl)oxolane-3-carboxylic acid
CID 62738542
butylbenzene;carbonic acid
CID 158278492
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
[2-methyl-1-(3-phenylpropyl)cyclopropyl]methanol
CID 20672612
3-(4-phenylbutyl)oxetan-3-ol
CID 86699932

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(3-phenylpropyl)oxetan-2-one?
The IUPAC name of 3-ethyl-3-(3-phenylpropyl)oxetan-2-one (CID 155351217) is 3-ethyl-3-(3-phenylpropyl)oxetan-2-one.
What is the SMILES notation for 3-ethyl-3-(3-phenylpropyl)oxetan-2-one?
The canonical SMILES for 3-ethyl-3-(3-phenylpropyl)oxetan-2-one is CCC1(CCCc2ccccc2)COC1=O.
What is the InChIKey of 3-ethyl-3-(3-phenylpropyl)oxetan-2-one?
The InChIKey is HSGUAWFPDAFNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-14(11-16-13(14)15)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3.
What are the key properties of 3-ethyl-3-(3-phenylpropyl)oxetan-2-one?
3-ethyl-3-(3-phenylpropyl)oxetan-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(3-phenylpropyl)oxetan-2-one is sourced from PubChem (CID 155351217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).