1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one

C10H10Cl2O3 — CID 107508075

IUPAC1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
SMILESCOCC(=O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O3/c1-14-5-7(13)6-15-9-4-2-3-8(11)10(9)12/h2-4H,5-6H2,1H3
InChIKeyUNHVLHQWADTJLL-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.59
Rot. Bonds5

About 1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one

1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one (PubChem CID 107508075) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is 1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
PubChem CID107508075
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Name1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
SMILESCOCC(=O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2O3/c1-14-5-7(13)6-15-9-4-2-3-8(11)10(9)12/h2-4H,5-6H2,1H3
InChIKeyUNHVLHQWADTJLL-UHFFFAOYSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(3-methoxy-2-oxopropoxy)benzonitrile
CID 107508195
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
1-(2,3-dichlorophenoxy)-3-(2-fluorophenyl)propan-2-one
CID 62030082
1-[2-(hydroxymethyl)phenoxy]-3-methoxypropan-2-one
CID 107508156
1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one
CID 107508154
2-(2,3-dichlorophenoxy)-N-(4-methylphenyl)acetamide
CID 2602907
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570
2-(2,3-dichlorophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7787801
1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone
CID 60624762
2-(2,3-dichlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 7372395
2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9286556
2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
CID 103066836

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one?
The IUPAC name of 1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one (CID 107508075) is 1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one?
The canonical SMILES for 1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one is COCC(=O)COc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one?
The InChIKey is UNHVLHQWADTJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-14-5-7(13)6-15-9-4-2-3-8(11)10(9)12/h2-4H,5-6H2,1H3.
What are the key properties of 1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one?
1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one has a molecular weight of 249.09 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one is sourced from PubChem (CID 107508075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).