2-[3-(4-tert-butylphenoxy)propyl]oxolane

C17H26O2 — CID 65170270

IUPAC2-[3-(4-tert-butylphenoxy)propyl]oxolane
SMILESCC(C)(C)c1ccc(OCCCC2CCCO2)cc1
InChIInChI=1S/C17H26O2/c1-17(2,3)14-8-10-16(11-9-14)19-13-5-7-15-6-4-12-18-15/h8-11,15H,4-7,12-13H2,1-3H3
InChIKeyQATYKNRFQSSHLD-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.32
Rot. Bonds5

About 2-[3-(4-tert-butylphenoxy)propyl]oxolane

2-[3-(4-tert-butylphenoxy)propyl]oxolane (PubChem CID 65170270) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[3-(4-tert-butylphenoxy)propyl]oxolane.

Molecular Properties

Compound Name2-[3-(4-tert-butylphenoxy)propyl]oxolane
PubChem CID65170270
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-[3-(4-tert-butylphenoxy)propyl]oxolane
SMILESCC(C)(C)c1ccc(OCCCC2CCCO2)cc1
InChIInChI=1S/C17H26O2/c1-17(2,3)14-8-10-16(11-9-14)19-13-5-7-15-6-4-12-18-15/h8-11,15H,4-7,12-13H2,1-3H3
InChIKeyQATYKNRFQSSHLD-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
[4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid
CID 65163245
methyl 4-[3-(oxolan-2-yl)propoxy]benzoate
CID 65158529
2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158401
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine
CID 65158699
N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide
CID 77057892
2-methyl-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 107671293
2-(4-methoxyphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65166677
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004698
trifluoro-[2-methyl-4-[2-(oxolan-2-yl)ethoxy]phenyl]boranuide
CID 83140518

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butylphenoxy)propyl]oxolane?
The IUPAC name of 2-[3-(4-tert-butylphenoxy)propyl]oxolane (CID 65170270) is 2-[3-(4-tert-butylphenoxy)propyl]oxolane.
What is the SMILES notation for 2-[3-(4-tert-butylphenoxy)propyl]oxolane?
The canonical SMILES for 2-[3-(4-tert-butylphenoxy)propyl]oxolane is CC(C)(C)c1ccc(OCCCC2CCCO2)cc1.
What is the InChIKey of 2-[3-(4-tert-butylphenoxy)propyl]oxolane?
The InChIKey is QATYKNRFQSSHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-17(2,3)14-8-10-16(11-9-14)19-13-5-7-15-6-4-12-18-15/h8-11,15H,4-7,12-13H2,1-3H3.
What are the key properties of 2-[3-(4-tert-butylphenoxy)propyl]oxolane?
2-[3-(4-tert-butylphenoxy)propyl]oxolane has a molecular weight of 262.39 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butylphenoxy)propyl]oxolane is sourced from PubChem (CID 65170270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).