2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone

C17H24O3 — CID 104751850

IUPAC2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
SMILESCc1cc(C(C)(C)C)ccc1OCC(=O)C1CCOC1
InChIInChI=1S/C17H24O3/c1-12-9-14(17(2,3)4)5-6-16(12)20-11-15(18)13-7-8-19-10-13/h5-6,9,13H,7-8,10-11H2,1-4H3
InChIKeyAPTMWZTZCQXPTE-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.28
Rot. Bonds4

About 2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone

2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone (PubChem CID 104751850) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
PubChem CID104751850
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
SMILESCc1cc(C(C)(C)C)ccc1OCC(=O)C1CCOC1
InChIInChI=1S/C17H24O3/c1-12-9-14(17(2,3)4)5-6-16(12)20-11-15(18)13-7-8-19-10-13/h5-6,9,13H,7-8,10-11H2,1-4H3
InChIKeyAPTMWZTZCQXPTE-UHFFFAOYSA-N
XLogP3.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
CID 104752130
2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone
CID 107659488
1-(oxolan-3-yl)-2-(2,4,5-trichlorophenoxy)ethanone
CID 104693441
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 104693489
2-(3-methyl-4-nitrophenoxy)-1-(oxolan-3-yl)ethanone
CID 113442118
2-(2-chloro-4-nitrophenoxy)-1-(oxolan-3-yl)ethanone
CID 104693422
2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
CID 63906456
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone
CID 104751821
1-(4-tert-butyl-2-methylphenoxy)pentan-2-one
CID 62044482
2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
CID 5014874
2-(3-iodophenoxy)-1-(oxolan-3-yl)ethanone
CID 104693460
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone (CID 104751850) is 2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone is Cc1cc(C(C)(C)C)ccc1OCC(=O)C1CCOC1.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone?
The InChIKey is APTMWZTZCQXPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-12-9-14(17(2,3)4)5-6-16(12)20-11-15(18)13-7-8-19-10-13/h5-6,9,13H,7-8,10-11H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone?
2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104751850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).