1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone

C17H17FO2 — CID 43612544

IUPAC1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccc(OCC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H17FO2/c1-12(2)13-6-8-16(9-7-13)20-11-17(19)14-4-3-5-15(18)10-14/h3-10,12H,11H2,1-2H3
InChIKeyTVAXKHQJADQVEL-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.21
Rot. Bonds5

About 1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone

1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone (PubChem CID 43612544) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
PubChem CID43612544
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccc(OCC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H17FO2/c1-12(2)13-6-8-16(9-7-13)20-11-17(19)14-4-3-5-15(18)10-14/h3-10,12H,11H2,1-2H3
InChIKeyTVAXKHQJADQVEL-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
1-(2,6-difluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612545
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-propan-2-ylphenoxy)acetamide
CID 112778017
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 90622980
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43411799
1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 103603982
1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone
CID 43413436
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 55380147

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone (CID 43612544) is 1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone is CC(C)c1ccc(OCC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone?
The InChIKey is TVAXKHQJADQVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-12(2)13-6-8-16(9-7-13)20-11-17(19)14-4-3-5-15(18)10-14/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone?
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone has a molecular weight of 272.32 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 43612544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).