4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane

C16H22O3 — CID 178086596

IUPAC4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane
SMILESc1ccc(COCC2(C3CCOCC3)COC2)cc1
InChIInChI=1S/C16H22O3/c1-2-4-14(5-3-1)10-18-11-16(12-19-13-16)15-6-8-17-9-7-15/h1-5,15H,6-13H2
InChIKeyABUOAMDLGZJLNB-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.65
Rot. Bonds5

About 4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane

4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane (PubChem CID 178086596) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane.

Molecular Properties

Compound Name4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane
PubChem CID178086596
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane
SMILESc1ccc(COCC2(C3CCOCC3)COC2)cc1
InChIInChI=1S/C16H22O3/c1-2-4-14(5-3-1)10-18-11-16(12-19-13-16)15-6-8-17-9-7-15/h1-5,15H,6-13H2
InChIKeyABUOAMDLGZJLNB-UHFFFAOYSA-N
XLogP2.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
4-phenylmethoxyoxane
CID 66554133
4-(phenylmethoxymethyl)oxepane
CID 151980287
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 102940533
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane
CID 176808161
3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 159566916
1-[(3aS,6aR)-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-phenylethanone
CID 97421005
(3R,5R,8R,9R,10S,13S,14S,17S)-3,13-dimethyl-17-[3-(phenylmethoxymethyl)oxetan-3-yl]-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 155350016
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 102940532

Frequently Asked Questions

What is the IUPAC name of 4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane?
The IUPAC name of 4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane (CID 178086596) is 4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane.
What is the SMILES notation for 4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane?
The canonical SMILES for 4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane is c1ccc(COCC2(C3CCOCC3)COC2)cc1.
What is the InChIKey of 4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane?
The InChIKey is ABUOAMDLGZJLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-2-4-14(5-3-1)10-18-11-16(12-19-13-16)15-6-8-17-9-7-15/h1-5,15H,6-13H2.
What are the key properties of 4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane?
4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane has a molecular weight of 262.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(phenylmethoxymethyl)oxetan-3-yl]oxane is sourced from PubChem (CID 178086596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).