1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one

C15H21FO3 — CID 112588313

IUPAC1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one
SMILESCC(C)(C)OCCOCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FO3/c1-15(2,3)19-11-10-18-9-8-14(17)12-4-6-13(16)7-5-12/h4-7H,8-11H2,1-3H3
InChIKeyFDGLVZJWJUCIDX-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.23
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one

1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one (PubChem CID 112588313) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one
PubChem CID112588313
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one
SMILESCC(C)(C)OCCOCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FO3/c1-15(2,3)19-11-10-18-9-8-14(17)12-4-6-13(16)7-5-12/h4-7H,8-11H2,1-3H3
InChIKeyFDGLVZJWJUCIDX-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-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-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 43793495
1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
CID 43793380
1-(4-fluorophenyl)-4-heptoxybutan-1-one
CID 43793694
1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone
CID 112588381
1-(4-fluorophenyl)-3-[(2-fluorophenyl)methoxy]propan-1-one
CID 63935532
5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione
CID 43138983
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
3-tert-butylsulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64644091
1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one
CID 43793381
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793611
3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 81058005

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one (CID 112588313) is 1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one is CC(C)(C)OCCOCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one?
The InChIKey is FDGLVZJWJUCIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c1-15(2,3)19-11-10-18-9-8-14(17)12-4-6-13(16)7-5-12/h4-7H,8-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one?
1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one has a molecular weight of 268.33 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one is sourced from PubChem (CID 112588313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).