2-butoxy-1-(4-propan-2-ylphenyl)ethanone

C15H22O2 — CID 43801215

IUPAC2-butoxy-1-(4-propan-2-ylphenyl)ethanone
SMILESCCCCOCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22O2/c1-4-5-10-17-11-15(16)14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyNWLUCRUFFLFPEK-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.81
Rot. Bonds7

About 2-butoxy-1-(4-propan-2-ylphenyl)ethanone

2-butoxy-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 43801215) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-butoxy-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-butoxy-1-(4-propan-2-ylphenyl)ethanone
PubChem CID43801215
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-butoxy-1-(4-propan-2-ylphenyl)ethanone
SMILESCCCCOCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22O2/c1-4-5-10-17-11-15(16)14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyNWLUCRUFFLFPEK-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.81
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

2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43798558
2-(3,3-dimethylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 66234093
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
2-(3-methoxy-3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 106666270
2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone
CID 43800065
2-heptoxy-1-(4-methylphenyl)ethanone
CID 43800117
1-(4-ethylphenyl)-2-heptoxyethanone
CID 43800138
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide
CID 119525929
1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone
CID 62033111
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanone
CID 82101367
ethane;propyl 4-propan-2-ylbenzoate
CID 164925093

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-butoxy-1-(4-propan-2-ylphenyl)ethanone (CID 43801215) is 2-butoxy-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-butoxy-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-butoxy-1-(4-propan-2-ylphenyl)ethanone is CCCCOCC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-butoxy-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is NWLUCRUFFLFPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-5-10-17-11-15(16)14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 2-butoxy-1-(4-propan-2-ylphenyl)ethanone?
2-butoxy-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 234.34 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 43801215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).