2-(4-butylphenoxy)-1-cyclopropylethanone

C15H20O2 — CID 115492850

IUPAC2-(4-butylphenoxy)-1-cyclopropylethanone
SMILESCCCCc1ccc(OCC(=O)C2CC2)cc1
InChIInChI=1S/C15H20O2/c1-2-3-4-12-5-9-14(10-6-12)17-11-15(16)13-7-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyNBRAXNULRUKFBB-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.39
Rot. Bonds7

About 2-(4-butylphenoxy)-1-cyclopropylethanone

2-(4-butylphenoxy)-1-cyclopropylethanone (PubChem CID 115492850) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(4-butylphenoxy)-1-cyclopropylethanone
PubChem CID115492850
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(4-butylphenoxy)-1-cyclopropylethanone
SMILESCCCCc1ccc(OCC(=O)C2CC2)cc1
InChIInChI=1S/C15H20O2/c1-2-3-4-12-5-9-14(10-6-12)17-11-15(16)13-7-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyNBRAXNULRUKFBB-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenoxy)-1-cyclopentylethanone
CID 104752178
1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 104751852
1-[4-[(4-propylphenoxy)methyl]cyclohexyl]pentan-1-one
CID 70444198
1-(4-butylphenoxy)-3-methylbutan-2-one
CID 115492859
1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 104751881
2-(4-octylphenoxy)acetic acid
CID 27145
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
2-(4-hexylphenoxy)acetyl chloride
CID 86712364
2-(4-nonylphenoxy)acetamide
CID 54388059
2-(4-butoxyphenyl)-1-cyclohexylethanone
CID 71053379
4-O-(4-heptylphenyl) 1-O-(4-propylphenyl) cyclohexane-1,4-dicarboxylate
CID 21028985
2-(4-pentylphenoxy)ethyl cyclohexanecarboxylate
CID 23271959

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-1-cyclopropylethanone?
The IUPAC name of 2-(4-butylphenoxy)-1-cyclopropylethanone (CID 115492850) is 2-(4-butylphenoxy)-1-cyclopropylethanone.
What is the SMILES notation for 2-(4-butylphenoxy)-1-cyclopropylethanone?
The canonical SMILES for 2-(4-butylphenoxy)-1-cyclopropylethanone is CCCCc1ccc(OCC(=O)C2CC2)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-1-cyclopropylethanone?
The InChIKey is NBRAXNULRUKFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-4-12-5-9-14(10-6-12)17-11-15(16)13-7-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3.
What are the key properties of 2-(4-butylphenoxy)-1-cyclopropylethanone?
2-(4-butylphenoxy)-1-cyclopropylethanone has a molecular weight of 232.32 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-1-cyclopropylethanone is sourced from PubChem (CID 115492850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).