1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one

C18H19FO2 — CID 62030414

IUPAC1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one
SMILESCC(OCCCC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H19FO2/c1-14(15-6-3-2-4-7-15)21-13-5-8-18(20)16-9-11-17(19)12-10-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3
InChIKeyYDPLLLQCGRSTNY-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.57
Rot. Bonds7

About 1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one

1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one (PubChem CID 62030414) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one
PubChem CID62030414
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one
SMILESCC(OCCCC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H19FO2/c1-14(15-6-3-2-4-7-15)21-13-5-8-18(20)16-9-11-17(19)12-10-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3
InChIKeyYDPLLLQCGRSTNY-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-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)-4-(2-methylpropoxy)butan-1-one
CID 43793381
6-(1-phenylethoxy)hexan-2-one
CID 62030605
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-fluorophenyl)-5-methoxyhexan-1-one
CID 145375839
1-phenylethyl 2-(4-fluorophenyl)-2-oxoacetate
CID 122376657
1-(4-fluorophenyl)-N-[3-[(1S)-1-phenylethoxy]propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25480531
1-(4-fluorophenyl)-4-heptoxybutan-1-one
CID 43793694
1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one
CID 43793564
1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
CID 43793380
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2386889
1-phenyl-4-propoxyhexan-1-one
CID 57063907
1-pentoxyethylbenzene;hydrate
CID 174634303

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one (CID 62030414) is 1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one is CC(OCCCC(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one?
The InChIKey is YDPLLLQCGRSTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-14(15-6-3-2-4-7-15)21-13-5-8-18(20)16-9-11-17(19)12-10-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one?
1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one has a molecular weight of 286.35 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one is sourced from PubChem (CID 62030414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).