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

C13H16Cl2O2 — CID 116707827

IUPAC1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one
SMILESCCCC(OCC)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2O2/c1-3-6-11(17-4-2)13(16)9-7-5-8-10(14)12(9)15/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyCSFRKJIJBMJFFN-UHFFFAOYSA-N
MW275.17 g/mol
LogP4.38
Rot. Bonds6

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

1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one (PubChem CID 116707827) has the molecular formula C13H16Cl2O2 and a molecular weight of 275.17 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one
PubChem CID116707827
Molecular FormulaC13H16Cl2O2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC Name1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one
SMILESCCCC(OCC)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2O2/c1-3-6-11(17-4-2)13(16)9-7-5-8-10(14)12(9)15/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeyCSFRKJIJBMJFFN-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-ethoxypentan-1-one
CID 106644947
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-one
CID 107308023
1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one
CID 116707740
1-(2,3-dichlorophenyl)-2-ethylhexan-1-one
CID 114970417
2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one
CID 102831102
1-(2,3-dichlorophenyl)-3-methoxyhexan-2-one
CID 107308025
1-(4-chloro-3-methoxyphenyl)-2-ethoxypentan-1-one
CID 116707900
1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
1-(2,3-dimethylphenyl)-2-ethoxybutan-1-one
CID 116707669
2-ethoxy-1-[3-(2-methylpropyl)phenyl]pentan-1-one
CID 116707745
2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
CID 102752803

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one (CID 116707827) is 1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one is CCCC(OCC)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one?
The InChIKey is CSFRKJIJBMJFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O2/c1-3-6-11(17-4-2)13(16)9-7-5-8-10(14)12(9)15/h5,7-8,11H,3-4,6H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one?
1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one has a molecular weight of 275.17 g/mol, XLogP of 4.38, 6 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-ethoxypentan-1-one is sourced from PubChem (CID 116707827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).