1-(4-propanoylphenoxy)pentan-2-one

C14H18O3 — CID 62043613

IUPAC1-(4-propanoylphenoxy)pentan-2-one
SMILESCCCC(=O)COc1ccc(C(=O)CC)cc1
InChIInChI=1S/C14H18O3/c1-3-5-12(15)10-17-13-8-6-11(7-9-13)14(16)4-2/h6-9H,3-5,10H2,1-2H3
InChIKeyMWIWFNCMGRVSHF-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.03
Rot. Bonds7

About 1-(4-propanoylphenoxy)pentan-2-one

1-(4-propanoylphenoxy)pentan-2-one (PubChem CID 62043613) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(4-propanoylphenoxy)pentan-2-one.

Molecular Properties

Compound Name1-(4-propanoylphenoxy)pentan-2-one
PubChem CID62043613
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(4-propanoylphenoxy)pentan-2-one
SMILESCCCC(=O)COc1ccc(C(=O)CC)cc1
InChIInChI=1S/C14H18O3/c1-3-5-12(15)10-17-13-8-6-11(7-9-13)14(16)4-2/h6-9H,3-5,10H2,1-2H3
InChIKeyMWIWFNCMGRVSHF-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propylphenoxy)pentan-2-one
CID 62549961
N-[4-(2-oxopentoxy)phenyl]acetamide
CID 62041871
3-(4-propanoylphenoxy)propanoic acid
CID 3050237
1-[4-(3-oxobutyl)phenoxy]pentan-2-one
CID 62042090
1-[4-[2-oxo-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 17234094
1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one
CID 158571654
N-ethyl-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 43243911
1-(4-acetylphenoxy)nonadecan-2-one
CID 70227901
3-methyl-4-(4-propanoylphenoxy)but-2-enoic acid
CID 77005451
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid
CID 75405754

Frequently Asked Questions

What is the IUPAC name of 1-(4-propanoylphenoxy)pentan-2-one?
The IUPAC name of 1-(4-propanoylphenoxy)pentan-2-one (CID 62043613) is 1-(4-propanoylphenoxy)pentan-2-one.
What is the SMILES notation for 1-(4-propanoylphenoxy)pentan-2-one?
The canonical SMILES for 1-(4-propanoylphenoxy)pentan-2-one is CCCC(=O)COc1ccc(C(=O)CC)cc1.
What is the InChIKey of 1-(4-propanoylphenoxy)pentan-2-one?
The InChIKey is MWIWFNCMGRVSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-5-12(15)10-17-13-8-6-11(7-9-13)14(16)4-2/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-propanoylphenoxy)pentan-2-one?
1-(4-propanoylphenoxy)pentan-2-one has a molecular weight of 234.29 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propanoylphenoxy)pentan-2-one is sourced from PubChem (CID 62043613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).