1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one

C15H21FO4 — CID 103178973

IUPAC1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
SMILESCOCCCOCCOCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H21FO4/c1-18-7-2-8-19-9-10-20-12-15(17)11-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyNLVLMPWXQBIWSC-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.01
Rot. Bonds11

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

1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one (PubChem CID 103178973) has the molecular formula C15H21FO4 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
PubChem CID103178973
Molecular FormulaC15H21FO4
Molecular Weight284.33 g/mol
Exact Mass284.14
IUPAC Name1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
SMILESCOCCCOCCOCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H21FO4/c1-18-7-2-8-19-9-10-20-12-15(17)11-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyNLVLMPWXQBIWSC-UHFFFAOYSA-N
XLogP2.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
CID 107508246
2-[(4-fluorophenyl)methyl]-4-(3-methoxypropoxy)butanoic acid
CID 103181428
1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone
CID 54936394
ethane;1-fluoro-4-(4-methoxybutyl)benzene
CID 143010320
2-[2-(3-methoxypropoxy)ethoxy]acetic acid
CID 54027919
2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
CID 106698537
1-(4-fluorophenyl)-3-(4-methylpentan-2-yloxy)propan-2-one
CID 43799042
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate
CID 106698538
1-(4-fluorophenyl)-3-[3-(methoxymethyl)phenoxy]propan-2-one
CID 63985981
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
1-(4-chlorophenyl)-5-methoxypentan-2-one
CID 62621697

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one (CID 103178973) is 1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one is COCCCOCCOCC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one?
The InChIKey is NLVLMPWXQBIWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO4/c1-18-7-2-8-19-9-10-20-12-15(17)11-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one?
1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one has a molecular weight of 284.33 g/mol, XLogP of 2.01, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one is sourced from PubChem (CID 103178973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).