2-(4-butylphenoxy)-1-cyclopentylethanone

C17H24O2 — CID 104752178

IUPAC2-(4-butylphenoxy)-1-cyclopentylethanone
SMILESCCCCc1ccc(OCC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H24O2/c1-2-3-6-14-9-11-16(12-10-14)19-13-17(18)15-7-4-5-8-15/h9-12,15H,2-8,13H2,1H3
InChIKeyDZXNJYSBWXNJGY-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.17
Rot. Bonds7

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

2-(4-butylphenoxy)-1-cyclopentylethanone (PubChem CID 104752178) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-1-cyclopentylethanone.

Molecular Properties

Compound Name2-(4-butylphenoxy)-1-cyclopentylethanone
PubChem CID104752178
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-(4-butylphenoxy)-1-cyclopentylethanone
SMILESCCCCc1ccc(OCC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H24O2/c1-2-3-6-14-9-11-16(12-10-14)19-13-17(18)15-7-4-5-8-15/h9-12,15H,2-8,13H2,1H3
InChIKeyDZXNJYSBWXNJGY-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butylphenoxy)-1-cyclopropylethanone
CID 115492850
1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 104751852
1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 104751881
2-(4-butoxyphenyl)-1-cyclohexylethanone
CID 71053379
2-(4-pentylphenoxy)ethyl cyclohexanecarboxylate
CID 23271959
2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085
1-(4-butylphenoxy)-3-methylbutan-2-one
CID 115492859
2-(4-octylphenoxy)acetic acid
CID 27145
trans-bis(4-pentylphenyl) (1S,3S)-cyclohexane-1,3-dicarboxylate
CID 7154916
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
1-[4-[(4-propylphenoxy)methyl]cyclohexyl]pentan-1-one
CID 70444198

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-1-cyclopentylethanone?
The IUPAC name of 2-(4-butylphenoxy)-1-cyclopentylethanone (CID 104752178) is 2-(4-butylphenoxy)-1-cyclopentylethanone.
What is the SMILES notation for 2-(4-butylphenoxy)-1-cyclopentylethanone?
The canonical SMILES for 2-(4-butylphenoxy)-1-cyclopentylethanone is CCCCc1ccc(OCC(=O)C2CCCC2)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-1-cyclopentylethanone?
The InChIKey is DZXNJYSBWXNJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-3-6-14-9-11-16(12-10-14)19-13-17(18)15-7-4-5-8-15/h9-12,15H,2-8,13H2,1H3.
What are the key properties of 2-(4-butylphenoxy)-1-cyclopentylethanone?
2-(4-butylphenoxy)-1-cyclopentylethanone has a molecular weight of 260.38 g/mol, XLogP of 4.17, 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-cyclopentylethanone is sourced from PubChem (CID 104752178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).