2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone

C17H16ClFO2 — CID 60624469

IUPAC2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)COc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClFO2/c1-11(2)12-3-5-13(6-4-12)17(20)10-21-14-7-8-16(19)15(18)9-14/h3-9,11H,10H2,1-2H3
InChIKeyVPUPDTLFHKLJED-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.86
Rot. Bonds5

About 2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone

2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 60624469) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID60624469
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)COc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClFO2/c1-11(2)12-3-5-13(6-4-12)17(20)10-21-14-7-8-16(19)15(18)9-14/h3-9,11H,10H2,1-2H3
InChIKeyVPUPDTLFHKLJED-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412075
N-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]phenyl]-2,2-dimethylpropanamide
CID 7432990
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
2-(3-chloro-4-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624522
2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43411799
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
3-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]benzaldehyde
CID 60624316
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone (CID 60624469) is 2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)COc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is VPUPDTLFHKLJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c1-11(2)12-3-5-13(6-4-12)17(20)10-21-14-7-8-16(19)15(18)9-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone?
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 306.76 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 60624469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).