1-(2-bromoethoxy)-2-(chloromethyl)benzene

C9H10BrClO — CID 155667771

IUPAC1-(2-bromoethoxy)-2-(chloromethyl)benzene
SMILESClCc1ccccc1OCCBr
InChIInChI=1S/C9H10BrClO/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4H,5-7H2
InChIKeyLXDKIVNMOBDBOP-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.20
Rot. Bonds4

About 1-(2-bromoethoxy)-2-(chloromethyl)benzene

1-(2-bromoethoxy)-2-(chloromethyl)benzene (PubChem CID 155667771) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-2-(chloromethyl)benzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-2-(chloromethyl)benzene
PubChem CID155667771
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name1-(2-bromoethoxy)-2-(chloromethyl)benzene
SMILESClCc1ccccc1OCCBr
InChIInChI=1S/C9H10BrClO/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4H,5-7H2
InChIKeyLXDKIVNMOBDBOP-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-2-(4-methoxybutoxy)benzene
CID 104648077
1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene
CID 56925902
1-(chloromethyl)-2-(4-methylpentoxy)benzene
CID 29004036
1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
CID 101421270
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278
1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
CID 11336770
1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene
CID 141264907
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
1-(bromomethyl)-2-propoxybenzene
CID 43141572
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
1-(6-bromohexoxy)-2-(chloromethoxy)benzene
CID 54415584
[2-(2-bromoethoxy)phenyl]-oxoazanium
CID 140662242

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-2-(chloromethyl)benzene?
The IUPAC name of 1-(2-bromoethoxy)-2-(chloromethyl)benzene (CID 155667771) is 1-(2-bromoethoxy)-2-(chloromethyl)benzene.
What is the SMILES notation for 1-(2-bromoethoxy)-2-(chloromethyl)benzene?
The canonical SMILES for 1-(2-bromoethoxy)-2-(chloromethyl)benzene is ClCc1ccccc1OCCBr.
What is the InChIKey of 1-(2-bromoethoxy)-2-(chloromethyl)benzene?
The InChIKey is LXDKIVNMOBDBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4H,5-7H2.
What are the key properties of 1-(2-bromoethoxy)-2-(chloromethyl)benzene?
1-(2-bromoethoxy)-2-(chloromethyl)benzene has a molecular weight of 249.53 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-2-(chloromethyl)benzene is sourced from PubChem (CID 155667771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).