3-(3-phenylmethoxypropoxy)oxetane

C13H18O3 — CID 90348128

IUPAC3-(3-phenylmethoxypropoxy)oxetane
SMILESc1ccc(COCCCOC2COC2)cc1
InChIInChI=1S/C13H18O3/c1-2-5-12(6-3-1)9-14-7-4-8-16-13-10-15-11-13/h1-3,5-6,13H,4,7-11H2
InChIKeyDVXMMCQBVMFQRC-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.01
Rot. Bonds7

About 3-(3-phenylmethoxypropoxy)oxetane

3-(3-phenylmethoxypropoxy)oxetane (PubChem CID 90348128) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-(3-phenylmethoxypropoxy)oxetane.

Molecular Properties

Compound Name3-(3-phenylmethoxypropoxy)oxetane
PubChem CID90348128
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-(3-phenylmethoxypropoxy)oxetane
SMILESc1ccc(COCCCOC2COC2)cc1
InChIInChI=1S/C13H18O3/c1-2-5-12(6-3-1)9-14-7-4-8-16-13-10-15-11-13/h1-3,5-6,13H,4,7-11H2
InChIKeyDVXMMCQBVMFQRC-UHFFFAOYSA-N
XLogP2.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-phenylmethoxypropoxy)piperidine
CID 171491541
9-[3-[[7,11-bis(phenylmethoxy)-1,5,9-trioxacyclododec-3-yl]oxy]propyl]carbazole
CID 177411126
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
3-(16-phenylmethoxyhexadecoxy)piperidine
CID 177224611
methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate
CID 59907113
(2S,4R)-1-methyl-4-(3-phenylmethoxypropoxy)pyrrolidine-2-carboxylic acid
CID 59906891
9-methyl-7-(3-phenylmethoxypropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963355
4-(oxetan-3-yloxy)-1-phenylbutan-1-one
CID 102607070
9-benzyl-7-(3-phenylmethoxypropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963356
3-[3-(4-phenylmethoxyphenyl)propoxy]oxane
CID 57004951
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxypropoxy)oxetane?
The IUPAC name of 3-(3-phenylmethoxypropoxy)oxetane (CID 90348128) is 3-(3-phenylmethoxypropoxy)oxetane.
What is the SMILES notation for 3-(3-phenylmethoxypropoxy)oxetane?
The canonical SMILES for 3-(3-phenylmethoxypropoxy)oxetane is c1ccc(COCCCOC2COC2)cc1.
What is the InChIKey of 3-(3-phenylmethoxypropoxy)oxetane?
The InChIKey is DVXMMCQBVMFQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-5-12(6-3-1)9-14-7-4-8-16-13-10-15-11-13/h1-3,5-6,13H,4,7-11H2.
What are the key properties of 3-(3-phenylmethoxypropoxy)oxetane?
3-(3-phenylmethoxypropoxy)oxetane has a molecular weight of 222.28 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylmethoxypropoxy)oxetane is sourced from PubChem (CID 90348128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).