4-bromo-2-(2-chloroethoxy)-1-methoxybenzene

C9H10BrClO2 — CID 66602625

IUPAC4-bromo-2-(2-chloroethoxy)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1OCCCl
InChIInChI=1S/C9H10BrClO2/c1-12-8-3-2-7(10)6-9(8)13-5-4-11/h2-3,6H,4-5H2,1H3
InChIKeyCZNKWDFSPHPRRS-UHFFFAOYSA-N
MW265.53 g/mol
LogP3.08
Rot. Bonds4

About 4-bromo-2-(2-chloroethoxy)-1-methoxybenzene

4-bromo-2-(2-chloroethoxy)-1-methoxybenzene (PubChem CID 66602625) has the molecular formula C9H10BrClO2 and a molecular weight of 265.53 g/mol. Its IUPAC name is 4-bromo-2-(2-chloroethoxy)-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(2-chloroethoxy)-1-methoxybenzene
PubChem CID66602625
Molecular FormulaC9H10BrClO2
Molecular Weight265.53 g/mol
Exact Mass263.96
IUPAC Name4-bromo-2-(2-chloroethoxy)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1OCCCl
InChIInChI=1S/C9H10BrClO2/c1-12-8-3-2-7(10)6-9(8)13-5-4-11/h2-3,6H,4-5H2,1H3
InChIKeyCZNKWDFSPHPRRS-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
CID 53216998
4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene
CID 146460696
4-chloro-2-(2-chloroethoxy)-1-methoxybenzene
CID 19982180
4-bromo-2-(2-chloroethoxy)-1-methylbenzene
CID 107283647
5-(5-bromo-2-methoxyphenoxy)pentan-1-ol
CID 155928755
1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
CID 11233233
4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene
CID 134282701
6-(5-bromo-2-methoxyphenoxy)hexanenitrile
CID 91655464
4-bromo-N-(2-chloroethyl)-2-methoxyaniline
CID 121473214
4-bromo-1,2-dibutoxybenzene
CID 10870333
methyl 2-(5-bromo-2-methoxyphenoxy)acetate
CID 178201298
4-bromo-1-(6-chlorohexoxy)-2-methylbenzene
CID 63498941

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-chloroethoxy)-1-methoxybenzene?
The IUPAC name of 4-bromo-2-(2-chloroethoxy)-1-methoxybenzene (CID 66602625) is 4-bromo-2-(2-chloroethoxy)-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-(2-chloroethoxy)-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-(2-chloroethoxy)-1-methoxybenzene is COc1ccc(Br)cc1OCCCl.
What is the InChIKey of 4-bromo-2-(2-chloroethoxy)-1-methoxybenzene?
The InChIKey is CZNKWDFSPHPRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO2/c1-12-8-3-2-7(10)6-9(8)13-5-4-11/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-bromo-2-(2-chloroethoxy)-1-methoxybenzene?
4-bromo-2-(2-chloroethoxy)-1-methoxybenzene has a molecular weight of 265.53 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-chloroethoxy)-1-methoxybenzene is sourced from PubChem (CID 66602625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).