2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one

C17H15ClO3 — CID 60626516

IUPAC2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
SMILESCC(=O)c1cccc(OC(C)C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClO3/c1-11(19)14-4-3-5-16(10-14)21-12(2)17(20)13-6-8-15(18)9-7-13/h3-10,12H,1-2H3
InChIKeyWYKFLHHDLIBLQN-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.19
Rot. Bonds5

About 2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one

2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one (PubChem CID 60626516) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
PubChem CID60626516
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Name2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
SMILESCC(=O)c1cccc(OC(C)C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClO3/c1-11(19)14-4-3-5-16(10-14)21-12(2)17(20)13-6-8-15(18)9-7-13/h3-10,12H,1-2H3
InChIKeyWYKFLHHDLIBLQN-UHFFFAOYSA-N
XLogP4.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
(2S)-2-(3-bromophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 95356280
1-(4-chlorophenyl)-2-(3-fluorophenoxy)propan-1-one
CID 43413409
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
4-chloro-N-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 43412314
N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645063
2-chloro-4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 102724664
(2R)-2-(3-acetylphenoxy)-N-(4-chloro-2-fluorophenyl)propanamide
CID 8639705
2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 55326168
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one?
The IUPAC name of 2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one (CID 60626516) is 2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one.
What is the SMILES notation for 2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one?
The canonical SMILES for 2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one is CC(=O)c1cccc(OC(C)C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one?
The InChIKey is WYKFLHHDLIBLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO3/c1-11(19)14-4-3-5-16(10-14)21-12(2)17(20)13-6-8-15(18)9-7-13/h3-10,12H,1-2H3.
What are the key properties of 2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one?
2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one has a molecular weight of 302.76 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one is sourced from PubChem (CID 60626516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).