2-[(3-tert-butylphenoxy)methyl]oxolane

C15H22O2 — CID 59734486

IUPAC2-[(3-tert-butylphenoxy)methyl]oxolane
SMILESCC(C)(C)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C15H22O2/c1-15(2,3)12-6-4-7-13(10-12)17-11-14-8-5-9-16-14/h4,6-7,10,14H,5,8-9,11H2,1-3H3
InChIKeyJEDWQLZXDVTGPM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.54
Rot. Bonds3

About 2-[(3-tert-butylphenoxy)methyl]oxolane

2-[(3-tert-butylphenoxy)methyl]oxolane (PubChem CID 59734486) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(3-tert-butylphenoxy)methyl]oxolane.

Molecular Properties

Compound Name2-[(3-tert-butylphenoxy)methyl]oxolane
PubChem CID59734486
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[(3-tert-butylphenoxy)methyl]oxolane
SMILESCC(C)(C)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C15H22O2/c1-15(2,3)12-6-4-7-13(10-12)17-11-14-8-5-9-16-14/h4,6-7,10,14H,5,8-9,11H2,1-3H3
InChIKeyJEDWQLZXDVTGPM-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 7394073
2-[(3-tert-butylphenoxy)methyl]oxirane
CID 22640892
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
CID 17232441
2-[3-(oxolan-2-ylmethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 167961300
N-[2-(3-methylphenoxy)ethyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799632
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
2-methyl-2-[4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]propanoic acid
CID 119254234
1,3-ditert-butylbenzene;ethane;methane;bis(2-(phenoxymethyl)oxirane)
CID 160560023
3-[[(2S)-oxan-2-yl]methoxy]benzaldehyde
CID 93037571

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butylphenoxy)methyl]oxolane?
The IUPAC name of 2-[(3-tert-butylphenoxy)methyl]oxolane (CID 59734486) is 2-[(3-tert-butylphenoxy)methyl]oxolane.
What is the SMILES notation for 2-[(3-tert-butylphenoxy)methyl]oxolane?
The canonical SMILES for 2-[(3-tert-butylphenoxy)methyl]oxolane is CC(C)(C)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of 2-[(3-tert-butylphenoxy)methyl]oxolane?
The InChIKey is JEDWQLZXDVTGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-15(2,3)12-6-4-7-13(10-12)17-11-14-8-5-9-16-14/h4,6-7,10,14H,5,8-9,11H2,1-3H3.
What are the key properties of 2-[(3-tert-butylphenoxy)methyl]oxolane?
2-[(3-tert-butylphenoxy)methyl]oxolane has a molecular weight of 234.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butylphenoxy)methyl]oxolane is sourced from PubChem (CID 59734486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).