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

C19H22O2 — CID 122456308

IUPAC3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one
SMILESCCCC1OC(=O)C1CCCc1ccc2ccccc2c1
InChIInChI=1S/C19H22O2/c1-2-6-18-17(19(20)21-18)10-5-7-14-11-12-15-8-3-4-9-16(15)13-14/h3-4,8-9,11-13,17-18H,2,5-7,10H2,1H3
InChIKeyVCKKYKQXKZXJPL-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.50
Rot. Bonds6

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

3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one (PubChem CID 122456308) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one.

Molecular Properties

Compound Name3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one
PubChem CID122456308
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one
SMILESCCCC1OC(=O)C1CCCc1ccc2ccccc2c1
InChIInChI=1S/C19H22O2/c1-2-6-18-17(19(20)21-18)10-5-7-14-11-12-15-8-3-4-9-16(15)13-14/h3-4,8-9,11-13,17-18H,2,5-7,10H2,1H3
InChIKeyVCKKYKQXKZXJPL-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.50
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

alpha-Naphthaleneacetic acid, ethyl ester
CID 62428
Tetrahydro-alpha-(1-naphthalenylmethyl)-2-furanpropanoic acid
CID 117180
Ethyl 2-naphthylacetate
CID 256821
Methyl 2-naphthaleneacetate
CID 5314037
trans-3-(4-Phenylbutyl)-4-propyloxetan-2-one
CID 154724033
Methyl 4-(2-naphthyl)butyrate
CID 4053289
methyl (2R,3S)-3-naphthalen-2-ylbicyclo[3.2.1]octane-2-carboxylate
CID 9900755
(S)-Naphthalen-2-yl-(S)-tetrahydro-pyran-2-yl-acetic acid methyl ester
CID 11748079
3-Naphthalen-2-yl-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44332405
4-Hydroxy-6-[2-(2,4,7-trimethyl-naphthalen-1-yl)-ethyl]-tetrahydro-pyran-2-one
CID 44378354
Methyl 3-naphthalen-2-yl-8-oxabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 44395690
methyl (2S,3S)-3-naphthalen-2-ylbicyclo[3.2.1]octane-2-carboxylate
CID 71450818

Frequently Asked Questions

What is the IUPAC name of 3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one?
The IUPAC name of 3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one (CID 122456308) is 3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one.
What is the SMILES notation for 3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one?
The canonical SMILES for 3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one is CCCC1OC(=O)C1CCCc1ccc2ccccc2c1.
What is the InChIKey of 3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one?
The InChIKey is VCKKYKQXKZXJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-6-18-17(19(20)21-18)10-5-7-14-11-12-15-8-3-4-9-16(15)13-14/h3-4,8-9,11-13,17-18H,2,5-7,10H2,1H3.
What are the key properties of 3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one?
3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one has a molecular weight of 282.38 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphthalen-2-ylpropyl)-4-propyloxetan-2-one is sourced from PubChem (CID 122456308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).