1-(2-bromoethoxy)-2-chloro-4-methoxybenzene

C9H10BrClO2 — CID 14989173

IUPAC1-(2-bromoethoxy)-2-chloro-4-methoxybenzene
SMILESCOc1ccc(OCCBr)c(Cl)c1
InChIInChI=1S/C9H10BrClO2/c1-12-7-2-3-9(8(11)6-7)13-5-4-10/h2-3,6H,4-5H2,1H3
InChIKeyRPIKVGBCIYYKDF-UHFFFAOYSA-N
MW265.53 g/mol
LogP3.12
Rot. Bonds4

About 1-(2-bromoethoxy)-2-chloro-4-methoxybenzene

1-(2-bromoethoxy)-2-chloro-4-methoxybenzene (PubChem CID 14989173) has the molecular formula C9H10BrClO2 and a molecular weight of 265.53 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-2-chloro-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-2-chloro-4-methoxybenzene
PubChem CID14989173
Molecular FormulaC9H10BrClO2
Molecular Weight265.53 g/mol
Exact Mass263.96
IUPAC Name1-(2-bromoethoxy)-2-chloro-4-methoxybenzene
SMILESCOc1ccc(OCCBr)c(Cl)c1
InChIInChI=1S/C9H10BrClO2/c1-12-7-2-3-9(8(11)6-7)13-5-4-10/h2-3,6H,4-5H2,1H3
InChIKeyRPIKVGBCIYYKDF-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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-bromoethoxy)-2-chloro-4-methoxybenzene?
The IUPAC name of 1-(2-bromoethoxy)-2-chloro-4-methoxybenzene (CID 14989173) is 1-(2-bromoethoxy)-2-chloro-4-methoxybenzene.
What is the SMILES notation for 1-(2-bromoethoxy)-2-chloro-4-methoxybenzene?
The canonical SMILES for 1-(2-bromoethoxy)-2-chloro-4-methoxybenzene is COc1ccc(OCCBr)c(Cl)c1.
What is the InChIKey of 1-(2-bromoethoxy)-2-chloro-4-methoxybenzene?
The InChIKey is RPIKVGBCIYYKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO2/c1-12-7-2-3-9(8(11)6-7)13-5-4-10/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-bromoethoxy)-2-chloro-4-methoxybenzene?
1-(2-bromoethoxy)-2-chloro-4-methoxybenzene has a molecular weight of 265.53 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-2-chloro-4-methoxybenzene is sourced from PubChem (CID 14989173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).