1-(2,3-dichlorophenyl)-2-propoxyethanone

C11H12Cl2O2 — CID 62789930

IUPAC1-(2,3-dichlorophenyl)-2-propoxyethanone
SMILESCCCOCC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2O2/c1-2-6-15-7-10(14)8-4-3-5-9(12)11(8)13/h3-5H,2,6-7H2,1H3
InChIKeyOXGJYWBBFWLBTL-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.60
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-2-propoxyethanone

1-(2,3-dichlorophenyl)-2-propoxyethanone (PubChem CID 62789930) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-propoxyethanone
PubChem CID62789930
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name1-(2,3-dichlorophenyl)-2-propoxyethanone
SMILESCCCOCC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2O2/c1-2-6-15-7-10(14)8-4-3-5-9(12)11(8)13/h3-5H,2,6-7H2,1H3
InChIKeyOXGJYWBBFWLBTL-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-3-methylphenyl)-2-propoxyethanone
CID 115783219
2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone
CID 116590901
1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
methyl 3-(2,3-dichlorophenyl)-3-oxopropanoate
CID 19088196
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone
CID 60624762
1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one
CID 114079722
1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one
CID 112677577
1-(2-bromophenyl)-2-octoxyethanone
CID 43800732
(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
CID 20714991
1-(2,5-dichlorophenyl)-2-heptoxyethanone
CID 43800122

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-propoxyethanone?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-propoxyethanone (CID 62789930) is 1-(2,3-dichlorophenyl)-2-propoxyethanone.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-propoxyethanone?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-propoxyethanone is CCCOCC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-propoxyethanone?
The InChIKey is OXGJYWBBFWLBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-2-6-15-7-10(14)8-4-3-5-9(12)11(8)13/h3-5H,2,6-7H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-propoxyethanone?
1-(2,3-dichlorophenyl)-2-propoxyethanone has a molecular weight of 247.12 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-propoxyethanone is sourced from PubChem (CID 62789930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).