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

C9H10BrClO — CID 24707923

IUPAC1-(2-bromoethoxy)-4-chloro-2-methylbenzene
SMILESCc1cc(Cl)ccc1OCCBr
InChIInChI=1S/C9H10BrClO/c1-7-6-8(11)2-3-9(7)12-5-4-10/h2-3,6H,4-5H2,1H3
InChIKeySAYMXFPRQVLVEO-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.42
Rot. Bonds3

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

1-(2-bromoethoxy)-4-chloro-2-methylbenzene (PubChem CID 24707923) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-4-chloro-2-methylbenzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-4-chloro-2-methylbenzene
PubChem CID24707923
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name1-(2-bromoethoxy)-4-chloro-2-methylbenzene
SMILESCc1cc(Cl)ccc1OCCBr
InChIInChI=1S/C9H10BrClO/c1-7-6-8(11)2-3-9(7)12-5-4-10/h2-3,6H,4-5H2,1H3
InChIKeySAYMXFPRQVLVEO-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-4-chloro-2-methylbenzene?
The IUPAC name of 1-(2-bromoethoxy)-4-chloro-2-methylbenzene (CID 24707923) is 1-(2-bromoethoxy)-4-chloro-2-methylbenzene.
What is the SMILES notation for 1-(2-bromoethoxy)-4-chloro-2-methylbenzene?
The canonical SMILES for 1-(2-bromoethoxy)-4-chloro-2-methylbenzene is Cc1cc(Cl)ccc1OCCBr.
What is the InChIKey of 1-(2-bromoethoxy)-4-chloro-2-methylbenzene?
The InChIKey is SAYMXFPRQVLVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-7-6-8(11)2-3-9(7)12-5-4-10/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-bromoethoxy)-4-chloro-2-methylbenzene?
1-(2-bromoethoxy)-4-chloro-2-methylbenzene has a molecular weight of 249.53 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-4-chloro-2-methylbenzene is sourced from PubChem (CID 24707923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).