1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone

C10H10BrClO2 — CID 82093759

IUPAC1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone
SMILESCC(=O)c1cccc(Cl)c1OCCBr
InChIInChI=1S/C10H10BrClO2/c1-7(13)8-3-2-4-9(12)10(8)14-6-5-11/h2-4H,5-6H2,1H3
InChIKeyLEKPEXBBGQQRFN-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.32
Rot. Bonds4

About 1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone

1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone (PubChem CID 82093759) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is 1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone
PubChem CID82093759
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone
SMILESCC(=O)c1cccc(Cl)c1OCCBr
InChIInChI=1S/C10H10BrClO2/c1-7(13)8-3-2-4-9(12)10(8)14-6-5-11/h2-4H,5-6H2,1H3
InChIKeyLEKPEXBBGQQRFN-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone?
The IUPAC name of 1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone (CID 82093759) is 1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone.
What is the SMILES notation for 1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone?
The canonical SMILES for 1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone is CC(=O)c1cccc(Cl)c1OCCBr.
What is the InChIKey of 1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone?
The InChIKey is LEKPEXBBGQQRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-7(13)8-3-2-4-9(12)10(8)14-6-5-11/h2-4H,5-6H2,1H3.
What are the key properties of 1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone?
1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone has a molecular weight of 277.55 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone is sourced from PubChem (CID 82093759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).