1-(2,5-dichlorophenoxy)pentan-3-one

C11H12Cl2O2 — CID 39349556

IUPAC1-(2,5-dichlorophenoxy)pentan-3-one
SMILESCCC(=O)CCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2O2/c1-2-9(14)5-6-15-11-7-8(12)3-4-10(11)13/h3-4,7H,2,5-6H2,1H3
InChIKeyPKBAPDXYZVPASR-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.74
Rot. Bonds5

About 1-(2,5-dichlorophenoxy)pentan-3-one

1-(2,5-dichlorophenoxy)pentan-3-one (PubChem CID 39349556) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)pentan-3-one.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)pentan-3-one
PubChem CID39349556
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name1-(2,5-dichlorophenoxy)pentan-3-one
SMILESCCC(=O)CCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2O2/c1-2-9(14)5-6-15-11-7-8(12)3-4-10(11)13/h3-4,7H,2,5-6H2,1H3
InChIKeyPKBAPDXYZVPASR-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 62028936
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid
CID 20988301
ethyl 4-(2,5-dichlorophenoxy)-3-oxobutanoate
CID 60644149
N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine;oxalic acid
CID 2934611
2-[[2-(2,5-dichlorophenoxy)acetyl]-methylamino]propanoic acid
CID 62626399
3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one
CID 92931184
ethyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43365233
2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone
CID 60623167
butyl-[4-(2,5-dichlorophenoxy)butyl]azanium
CID 2261994
2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide
CID 84601595
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenoxy)pentan-3-one?
The IUPAC name of 1-(2,5-dichlorophenoxy)pentan-3-one (CID 39349556) is 1-(2,5-dichlorophenoxy)pentan-3-one.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)pentan-3-one?
The canonical SMILES for 1-(2,5-dichlorophenoxy)pentan-3-one is CCC(=O)CCOc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenoxy)pentan-3-one?
The InChIKey is PKBAPDXYZVPASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-2-9(14)5-6-15-11-7-8(12)3-4-10(11)13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-(2,5-dichlorophenoxy)pentan-3-one?
1-(2,5-dichlorophenoxy)pentan-3-one has a molecular weight of 247.12 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenoxy)pentan-3-one is sourced from PubChem (CID 39349556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).