1-(4-ethylphenyl)-3-phenoxypropan-1-one

C17H18O2 — CID 62545024

IUPAC1-(4-ethylphenyl)-3-phenoxypropan-1-one
SMILESCCc1ccc(C(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-2-14-8-10-15(11-9-14)17(18)12-13-19-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3
InChIKeyFUUPRLWBXOLMTM-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.90
Rot. Bonds6

About 1-(4-ethylphenyl)-3-phenoxypropan-1-one

1-(4-ethylphenyl)-3-phenoxypropan-1-one (PubChem CID 62545024) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-phenoxypropan-1-one
PubChem CID62545024
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-(4-ethylphenyl)-3-phenoxypropan-1-one
SMILESCCc1ccc(C(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C17H18O2/c1-2-14-8-10-15(11-9-14)17(18)12-13-19-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3
InChIKeyFUUPRLWBXOLMTM-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylphenyl)-3-phenoxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
3-(4-butylphenoxy)-1-phenylpropan-1-one
CID 116692186
2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
CID 158282990
3-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 115601483
2-methyl-2-[4-(3-phenoxypropanoyl)phenoxy]propanoic acid
CID 54413560
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
CID 18428768
1-(4-ethylphenyl)-3-propoxypropan-1-one
CID 105085935
1-(3-methylphenyl)-3-phenoxypropan-1-one
CID 60798241
(E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine
CID 173205764
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-3-phenoxypropan-1-one (CID 62545024) is 1-(4-ethylphenyl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-3-phenoxypropan-1-one is CCc1ccc(C(=O)CCOc2ccccc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-phenoxypropan-1-one?
The InChIKey is FUUPRLWBXOLMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-2-14-8-10-15(11-9-14)17(18)12-13-19-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-3-phenoxypropan-1-one?
1-(4-ethylphenyl)-3-phenoxypropan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-phenoxypropan-1-one is sourced from PubChem (CID 62545024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).