2-bromo-1-chloro-3-(2-methoxyethoxy)benzene

C9H10BrClO2 — CID 156587191

IUPAC2-bromo-1-chloro-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cccc(Cl)c1Br
InChIInChI=1S/C9H10BrClO2/c1-12-5-6-13-8-4-2-3-7(11)9(8)10/h2-4H,5-6H2,1H3
InChIKeyKNLDWIKKUKUKGX-UHFFFAOYSA-N
MW265.53 g/mol
LogP3.13
Rot. Bonds4

About 2-bromo-1-chloro-3-(2-methoxyethoxy)benzene

2-bromo-1-chloro-3-(2-methoxyethoxy)benzene (PubChem CID 156587191) has the molecular formula C9H10BrClO2 and a molecular weight of 265.53 g/mol. Its IUPAC name is 2-bromo-1-chloro-3-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-chloro-3-(2-methoxyethoxy)benzene
PubChem CID156587191
Molecular FormulaC9H10BrClO2
Molecular Weight265.53 g/mol
Exact Mass263.96
IUPAC Name2-bromo-1-chloro-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cccc(Cl)c1Br
InChIInChI=1S/C9H10BrClO2/c1-12-5-6-13-8-4-2-3-7(11)9(8)10/h2-4H,5-6H2,1H3
InChIKeyKNLDWIKKUKUKGX-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.53
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-chloro-3-(methoxymethoxy)benzene
CID 164894389
2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene
CID 118268661
2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene
CID 146377328
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
2-bromo-3-(2-methoxyethoxy)benzonitrile
CID 172915395
1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene
CID 114320831
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
2-chloro-6-(4-methoxybutoxy)benzaldehyde
CID 104647699
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-chloro-3-(2-methoxyethoxy)benzene?
The IUPAC name of 2-bromo-1-chloro-3-(2-methoxyethoxy)benzene (CID 156587191) is 2-bromo-1-chloro-3-(2-methoxyethoxy)benzene.
What is the SMILES notation for 2-bromo-1-chloro-3-(2-methoxyethoxy)benzene?
The canonical SMILES for 2-bromo-1-chloro-3-(2-methoxyethoxy)benzene is COCCOc1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-1-chloro-3-(2-methoxyethoxy)benzene?
The InChIKey is KNLDWIKKUKUKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO2/c1-12-5-6-13-8-4-2-3-7(11)9(8)10/h2-4H,5-6H2,1H3.
What are the key properties of 2-bromo-1-chloro-3-(2-methoxyethoxy)benzene?
2-bromo-1-chloro-3-(2-methoxyethoxy)benzene has a molecular weight of 265.53 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-chloro-3-(2-methoxyethoxy)benzene is sourced from PubChem (CID 156587191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).