1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone

C17H17FO2 — CID 63532362

IUPAC1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
SMILESCCCc1ccc(Oc2ccc(C(C)=O)cc2F)cc1
InChIInChI=1S/C17H17FO2/c1-3-4-13-5-8-15(9-6-13)20-17-10-7-14(12(2)19)11-16(17)18/h5-11H,3-4H2,1-2H3
InChIKeyGIPOQOMJSGHQAT-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.77
Rot. Bonds5

About 1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone

1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone (PubChem CID 63532362) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
PubChem CID63532362
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
SMILESCCCc1ccc(Oc2ccc(C(C)=O)cc2F)cc1
InChIInChI=1S/C17H17FO2/c1-3-4-13-5-8-15(9-6-13)20-17-10-7-14(12(2)19)11-16(17)18/h5-11H,3-4H2,1-2H3
InChIKeyGIPOQOMJSGHQAT-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone
CID 158011620
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
1-[3-fluoro-4-(4-methylsulfanylphenoxy)phenyl]ethanone
CID 63647834
3-fluoro-4-(4-hexylphenoxy)benzamide
CID 142415242
1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 142414912
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid
CID 104629499
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanone
CID 107724721
(2,4-difluorophenyl) 4-propylbenzoate
CID 23391163
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine
CID 63534051
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone (CID 63532362) is 1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone is CCCc1ccc(Oc2ccc(C(C)=O)cc2F)cc1.
What is the InChIKey of 1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone?
The InChIKey is GIPOQOMJSGHQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-3-4-13-5-8-15(9-6-13)20-17-10-7-14(12(2)19)11-16(17)18/h5-11H,3-4H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone?
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone has a molecular weight of 272.32 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone is sourced from PubChem (CID 63532362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).