1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one

C13H17FO3 — CID 54936830

IUPAC1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one
SMILESCOCCCOC(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FO3/c1-10(17-9-3-8-16-2)13(15)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyQONCVHNFZPVZCO-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.45
Rot. Bonds7

About 1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one

1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one (PubChem CID 54936830) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one
PubChem CID54936830
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one
SMILESCOCCCOC(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FO3/c1-10(17-9-3-8-16-2)13(15)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyQONCVHNFZPVZCO-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.45
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)-2-(3-methoxypropoxy)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)-2-(2-methylpropoxy)propan-1-one
CID 43798747
1-(4-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)propan-1-one
CID 43800992
2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
2-heptoxy-1-(4-methoxyphenyl)propan-1-one
CID 43800113
1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
CID 82952009
1-(3,4-difluorophenyl)-2-hexoxypropan-1-one
CID 43800697
1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
CID 82954338
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-fluorophenyl)propan-1-one
CID 55010167
1-phenyl-2-propoxypropan-1-one
CID 43801137
1-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)ethanone
CID 43801623
1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
CID 82955506
4-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 54978956

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one (CID 54936830) is 1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one is COCCCOC(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one?
The InChIKey is QONCVHNFZPVZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-10(17-9-3-8-16-2)13(15)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one?
1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one has a molecular weight of 240.27 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one is sourced from PubChem (CID 54936830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).