1-phenyl-3-(4-propanoylphenoxy)propan-1-one

C18H18O3 — CID 116692107

IUPAC1-phenyl-3-(4-propanoylphenoxy)propan-1-one
SMILESCCC(=O)c1ccc(OCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18O3/c1-2-17(19)15-8-10-16(11-9-15)21-13-12-18(20)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
InChIKeyYHFJHNNTQWMDMG-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.93
Rot. Bonds7

About 1-phenyl-3-(4-propanoylphenoxy)propan-1-one

1-phenyl-3-(4-propanoylphenoxy)propan-1-one (PubChem CID 116692107) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-phenyl-3-(4-propanoylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(4-propanoylphenoxy)propan-1-one
PubChem CID116692107
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name1-phenyl-3-(4-propanoylphenoxy)propan-1-one
SMILESCCC(=O)c1ccc(OCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18O3/c1-2-17(19)15-8-10-16(11-9-15)21-13-12-18(20)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
InChIKeyYHFJHNNTQWMDMG-UHFFFAOYSA-N
XLogP3.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-propanoylphenoxy)propanoic acid
CID 3050237
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
3-(4-butylphenoxy)-1-phenylpropan-1-one
CID 116692186
1-phenyl(111C)propan-1-one
CID 11159350
2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid
CID 54413560
2-amino-4-(4-propanoylphenoxy)but-1-en-1-one
CID 176536189
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020
1-(3-methylphenyl)-3-phenoxypropan-1-one
CID 60798241
N-methyl-N-phenyl-2-(4-propanoylphenoxy)acetamide
CID 78760468

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-propanoylphenoxy)propan-1-one?
The IUPAC name of 1-phenyl-3-(4-propanoylphenoxy)propan-1-one (CID 116692107) is 1-phenyl-3-(4-propanoylphenoxy)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(4-propanoylphenoxy)propan-1-one?
The canonical SMILES for 1-phenyl-3-(4-propanoylphenoxy)propan-1-one is CCC(=O)c1ccc(OCCC(=O)c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-(4-propanoylphenoxy)propan-1-one?
The InChIKey is YHFJHNNTQWMDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-2-17(19)15-8-10-16(11-9-15)21-13-12-18(20)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3.
What are the key properties of 1-phenyl-3-(4-propanoylphenoxy)propan-1-one?
1-phenyl-3-(4-propanoylphenoxy)propan-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-propanoylphenoxy)propan-1-one is sourced from PubChem (CID 116692107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).