1-[4-(3-oxobutyl)phenoxy]pentan-2-one

C15H20O3 — CID 62042090

IUPAC1-[4-(3-oxobutyl)phenoxy]pentan-2-one
SMILESCCCC(=O)COc1ccc(CCC(C)=O)cc1
InChIInChI=1S/C15H20O3/c1-3-4-14(17)11-18-15-9-7-13(8-10-15)6-5-12(2)16/h7-10H,3-6,11H2,1-2H3
InChIKeyWUDCJDAHFDSUPM-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.96
Rot. Bonds8

About 1-[4-(3-oxobutyl)phenoxy]pentan-2-one

1-[4-(3-oxobutyl)phenoxy]pentan-2-one (PubChem CID 62042090) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[4-(3-oxobutyl)phenoxy]pentan-2-one.

Molecular Properties

Compound Name1-[4-(3-oxobutyl)phenoxy]pentan-2-one
PubChem CID62042090
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[4-(3-oxobutyl)phenoxy]pentan-2-one
SMILESCCCC(=O)COc1ccc(CCC(C)=O)cc1
InChIInChI=1S/C15H20O3/c1-3-4-14(17)11-18-15-9-7-13(8-10-15)6-5-12(2)16/h7-10H,3-6,11H2,1-2H3
InChIKeyWUDCJDAHFDSUPM-UHFFFAOYSA-N
XLogP2.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propylphenoxy)pentan-2-one
CID 62549961
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
1-(4-ethoxyphenyl)hexan-3-one
CID 64505470
N-[4-(2-oxopentoxy)phenyl]acetamide
CID 62041871
ethyl (E)-2-[[4-(3-oxobutyl)phenoxy]methyl]but-2-enoate
CID 53381870
1-(4-propanoylphenoxy)pentan-2-one
CID 62043613
N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643132
4-[4-(5-chloropentoxy)phenyl]butan-2-one
CID 43168524
6-(4-butylphenoxy)hexan-2-one
CID 115492852
1-(4-propoxyphenyl)heptan-4-one
CID 83932327

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-oxobutyl)phenoxy]pentan-2-one?
The IUPAC name of 1-[4-(3-oxobutyl)phenoxy]pentan-2-one (CID 62042090) is 1-[4-(3-oxobutyl)phenoxy]pentan-2-one.
What is the SMILES notation for 1-[4-(3-oxobutyl)phenoxy]pentan-2-one?
The canonical SMILES for 1-[4-(3-oxobutyl)phenoxy]pentan-2-one is CCCC(=O)COc1ccc(CCC(C)=O)cc1.
What is the InChIKey of 1-[4-(3-oxobutyl)phenoxy]pentan-2-one?
The InChIKey is WUDCJDAHFDSUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-4-14(17)11-18-15-9-7-13(8-10-15)6-5-12(2)16/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 1-[4-(3-oxobutyl)phenoxy]pentan-2-one?
1-[4-(3-oxobutyl)phenoxy]pentan-2-one has a molecular weight of 248.32 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-oxobutyl)phenoxy]pentan-2-one is sourced from PubChem (CID 62042090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).