1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone

C12H12Cl2O3 — CID 55225720

IUPAC1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone
SMILESO=C(COC1CCOC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2O3/c13-8-1-2-11(14)10(5-8)12(15)7-17-9-3-4-16-6-9/h1-2,5,9H,3-4,6-7H2
InChIKeyHTSRCZFNESIWOD-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.98
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone

1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone (PubChem CID 55225720) has the molecular formula C12H12Cl2O3 and a molecular weight of 275.13 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone
PubChem CID55225720
Molecular FormulaC12H12Cl2O3
Molecular Weight275.13 g/mol
Exact Mass274.02
IUPAC Name1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone
SMILESO=C(COC1CCOC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2O3/c13-8-1-2-11(14)10(5-8)12(15)7-17-9-3-4-16-6-9/h1-2,5,9H,3-4,6-7H2
InChIKeyHTSRCZFNESIWOD-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone
CID 63557451
1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone
CID 63556467
1-(2,5-dichlorophenyl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997176
1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone
CID 63559072
[(3S)-oxolan-3-yl] 4-chlorobenzoate
CID 95615076
N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556430
oxolan-3-yl 2-amino-4-chlorobenzoate
CID 63557456
5-chloro-2-(oxolan-3-yloxymethyl)aniline
CID 63557218
1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone
CID 63558654
1-(2,5-dichlorothiophen-3-yl)-2-(oxetan-3-yloxy)ethanone
CID 102606968
2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone
CID 106203267
2-[2-(2,5-dichlorophenyl)-2-oxoethoxy]acetic acid
CID 61329924

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone (CID 55225720) is 1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone is O=C(COC1CCOC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone?
The InChIKey is HTSRCZFNESIWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O3/c13-8-1-2-11(14)10(5-8)12(15)7-17-9-3-4-16-6-9/h1-2,5,9H,3-4,6-7H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone?
1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone has a molecular weight of 275.13 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone is sourced from PubChem (CID 55225720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).