2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone

C17H26O3 — CID 106666270

IUPAC2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCOC(C)(C)CCOCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H26O3/c1-13(2)14-6-8-15(9-7-14)16(18)12-20-11-10-17(3,4)19-5/h6-9,13H,10-12H2,1-5H3
InChIKeyOEKZLIISGHFKNS-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.82
Rot. Bonds8

About 2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone

2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 106666270) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID106666270
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCOC(C)(C)CCOCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H26O3/c1-13(2)14-6-8-15(9-7-14)16(18)12-20-11-10-17(3,4)19-5/h6-9,13H,10-12H2,1-5H3
InChIKeyOEKZLIISGHFKNS-UHFFFAOYSA-N
XLogP3.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.82
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

2-(3,3-dimethylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 66234093
2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43798558
2-butoxy-1-(4-propan-2-ylphenyl)ethanone
CID 43801215
1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone
CID 62033111
1-(2,5-dichlorothiophen-3-yl)-2-(3-methoxy-3-methylbutoxy)ethanone
CID 106666271
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
4,4-dimethoxy-1-(4-propan-2-ylphenyl)butane-1,3-dione
CID 55114433
4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
CID 64565089
1-(4-tert-butylphenyl)-2-propoxyethanone
CID 62548710
1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone
CID 106448325
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
4-(2-propoxyacetyl)benzoic acid
CID 57076032

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone (CID 106666270) is 2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone is COC(C)(C)CCOCC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is OEKZLIISGHFKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-13(2)14-6-8-15(9-7-14)16(18)12-20-11-10-17(3,4)19-5/h6-9,13H,10-12H2,1-5H3.
What are the key properties of 2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone?
2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 278.39 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 106666270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).