1-(2,3-dichlorophenyl)propan-1-one

C9H8Cl2O — CID 22173184

IUPAC1-(2,3-dichlorophenyl)propan-1-one
SMILESCCC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5H,2H2,1H3
InChIKeyRMIJMXPBQBQCHQ-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.59
Rot. Bonds2

About 1-(2,3-dichlorophenyl)propan-1-one

1-(2,3-dichlorophenyl)propan-1-one (PubChem CID 22173184) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)propan-1-one
PubChem CID22173184
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name1-(2,3-dichlorophenyl)propan-1-one
SMILESCCC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5H,2H2,1H3
InChIKeyRMIJMXPBQBQCHQ-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one
CID 112677577
methyl 3-(2,3-dichlorophenyl)-3-oxopropanoate
CID 19088196
1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one
CID 22145447
1-(2,3-dichlorophenyl)-2-propoxyethanone
CID 62789930
1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one
CID 118830150
(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
CID 20714991
1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one
CID 50987811
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
1-(2,3-dichlorophenyl)-4-(methylamino)butan-1-one
CID 116555585
2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid
CID 118991203
1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one
CID 114079722

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)propan-1-one?
The IUPAC name of 1-(2,3-dichlorophenyl)propan-1-one (CID 22173184) is 1-(2,3-dichlorophenyl)propan-1-one.
What is the SMILES notation for 1-(2,3-dichlorophenyl)propan-1-one?
The canonical SMILES for 1-(2,3-dichlorophenyl)propan-1-one is CCC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)propan-1-one?
The InChIKey is RMIJMXPBQBQCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5H,2H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)propan-1-one?
1-(2,3-dichlorophenyl)propan-1-one has a molecular weight of 203.07 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)propan-1-one is sourced from PubChem (CID 22173184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).