1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one

C17H17FO3 — CID 43798579

IUPAC1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one
SMILESO=C(COCCOc1ccccc1)Cc1ccccc1F
InChIInChI=1S/C17H17FO3/c18-17-9-5-4-6-14(17)12-15(19)13-20-10-11-21-16-7-2-1-3-8-16/h1-9H,10-13H2
InChIKeyLEOPPDRJBMKLRC-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.03
Rot. Bonds8

About 1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one

1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one (PubChem CID 43798579) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one
PubChem CID43798579
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one
SMILESO=C(COCCOc1ccccc1)Cc1ccccc1F
InChIInChI=1S/C17H17FO3/c18-17-9-5-4-6-14(17)12-15(19)13-20-10-11-21-16-7-2-1-3-8-16/h1-9H,10-13H2
InChIKeyLEOPPDRJBMKLRC-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
1-(2-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-one
CID 112588325
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one
CID 106203288
1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
CID 43799215
1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one
CID 62031771
1-(2-fluorophenyl)-3-(4-nitrophenoxy)propan-2-one
CID 61031387
1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one
CID 62716864
N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide
CID 110755454
1-(3,4-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
CID 62034523
2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
CID 15307009
N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide
CID 75443246

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one (CID 43798579) is 1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one is O=C(COCCOc1ccccc1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one?
The InChIKey is LEOPPDRJBMKLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c18-17-9-5-4-6-14(17)12-15(19)13-20-10-11-21-16-7-2-1-3-8-16/h1-9H,10-13H2.
What are the key properties of 1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one?
1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one has a molecular weight of 288.32 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one is sourced from PubChem (CID 43798579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).