1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone

C17H16F2O2 — CID 43612562

IUPAC1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1cccc(OCC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H16F2O2/c1-11(2)12-4-3-5-14(8-12)21-10-17(20)15-7-6-13(18)9-16(15)19/h3-9,11H,10H2,1-2H3
InChIKeyQQKCIIFXPWSNMJ-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.35
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone

1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone (PubChem CID 43612562) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
PubChem CID43612562
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1cccc(OCC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H16F2O2/c1-11(2)12-4-3-5-14(8-12)21-10-17(20)15-7-6-13(18)9-16(15)19/h3-9,11H,10H2,1-2H3
InChIKeyQQKCIIFXPWSNMJ-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412068
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412075
1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one
CID 43793564
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 75807721
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60625676
1-(2,4-difluorophenyl)-2-(3-methylbutoxy)ethanone
CID 43798523
(E)-3-methyl-4-(3-propan-2-ylphenoxy)but-2-enoic acid
CID 63774876

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone (CID 43612562) is 1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone is CC(C)c1cccc(OCC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone?
The InChIKey is QQKCIIFXPWSNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-11(2)12-4-3-5-14(8-12)21-10-17(20)15-7-6-13(18)9-16(15)19/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone?
1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone has a molecular weight of 290.31 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 43612562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).