2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone

C18H19FO2 — CID 107659414

IUPAC2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCc1cccc(OCC(=O)c2ccc(C(C)C)cc2)c1F
InChIInChI=1S/C18H19FO2/c1-12(2)14-7-9-15(10-8-14)16(20)11-21-17-6-4-5-13(3)18(17)19/h4-10,12H,11H2,1-3H3
InChIKeyDAQBEMHJOQVMFF-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.52
Rot. Bonds5

About 2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone

2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 107659414) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID107659414
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCc1cccc(OCC(=O)c2ccc(C(C)C)cc2)c1F
InChIInChI=1S/C18H19FO2/c1-12(2)14-7-9-15(10-8-14)16(20)11-21-17-6-4-5-13(3)18(17)19/h4-10,12H,11H2,1-3H3
InChIKeyDAQBEMHJOQVMFF-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413186
1-(4-ethylphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659479
2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 118408210
2-(2-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43412435
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659470
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412075
1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 60623516

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone (CID 107659414) is 2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone is Cc1cccc(OCC(=O)c2ccc(C(C)C)cc2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is DAQBEMHJOQVMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-12(2)14-7-9-15(10-8-14)16(20)11-21-17-6-4-5-13(3)18(17)19/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 286.35 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 107659414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).