3-(3-ethylphenoxy)-1-phenylpropan-1-one

C17H18O2 — CID 116692020

IUPAC3-(3-ethylphenoxy)-1-phenylpropan-1-one
SMILESCCc1cccc(OCCC(=O)c2ccccc2)c1
InChIInChI=1S/C17H18O2/c1-2-14-7-6-10-16(13-14)19-12-11-17(18)15-8-4-3-5-9-15/h3-10,13H,2,11-12H2,1H3
InChIKeyNJCXAFRMFBUWCE-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.90
Rot. Bonds6

About 3-(3-ethylphenoxy)-1-phenylpropan-1-one

3-(3-ethylphenoxy)-1-phenylpropan-1-one (PubChem CID 116692020) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(3-ethylphenoxy)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(3-ethylphenoxy)-1-phenylpropan-1-one
PubChem CID116692020
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-(3-ethylphenoxy)-1-phenylpropan-1-one
SMILESCCc1cccc(OCCC(=O)c2ccccc2)c1
InChIInChI=1S/C17H18O2/c1-2-14-7-6-10-16(13-14)19-12-11-17(18)15-8-4-3-5-9-15/h3-10,13H,2,11-12H2,1H3
InChIKeyNJCXAFRMFBUWCE-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 3-(3-ethylphenoxy)-1-phenylpropan-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

1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
4-(3-ethylphenoxy)butanamide
CID 82040637
3-(3-ethylphenoxy)propanehydrazide
CID 63575003
1-(3-methylphenyl)-3-phenoxypropan-1-one
CID 60798241
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
4-(3-methoxyphenoxy)-1-phenylbutan-1-one
CID 43218335
2-(3-ethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411800
2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate
CID 55318473
3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea
CID 112971905
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenoxy)-1-phenylpropan-1-one?
The IUPAC name of 3-(3-ethylphenoxy)-1-phenylpropan-1-one (CID 116692020) is 3-(3-ethylphenoxy)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(3-ethylphenoxy)-1-phenylpropan-1-one?
The canonical SMILES for 3-(3-ethylphenoxy)-1-phenylpropan-1-one is CCc1cccc(OCCC(=O)c2ccccc2)c1.
What is the InChIKey of 3-(3-ethylphenoxy)-1-phenylpropan-1-one?
The InChIKey is NJCXAFRMFBUWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-2-14-7-6-10-16(13-14)19-12-11-17(18)15-8-4-3-5-9-15/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 3-(3-ethylphenoxy)-1-phenylpropan-1-one?
3-(3-ethylphenoxy)-1-phenylpropan-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 3-(3-ethylphenoxy)-1-phenylpropan-1-one is sourced from PubChem (CID 116692020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).