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

C17H17ClO2 — CID 43412075

IUPAC1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1cccc(OCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClO2/c1-12(2)14-4-3-5-16(10-14)20-11-17(19)13-6-8-15(18)9-7-13/h3-10,12H,11H2,1-2H3
InChIKeyZYRYLVLWLXWALW-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.73
Rot. Bonds5

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

1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone (PubChem CID 43412075) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
PubChem CID43412075
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1cccc(OCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClO2/c1-12(2)14-4-3-5-16(10-14)20-11-17(19)13-6-8-15(18)9-7-13/h3-10,12H,11H2,1-2H3
InChIKeyZYRYLVLWLXWALW-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43411799
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
3-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]benzaldehyde
CID 60624316
1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412068
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 1471533
1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43612562
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one
CID 43793564
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone (CID 43412075) is 1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone is CC(C)c1cccc(OCC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone?
The InChIKey is ZYRYLVLWLXWALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-12(2)14-4-3-5-16(10-14)20-11-17(19)13-6-8-15(18)9-7-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone?
1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone has a molecular weight of 288.77 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 43412075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).